diff --git a/.gitignore b/.gitignore
index e11bb5fde..3fd97aefb 100644
--- a/.gitignore
+++ b/.gitignore
@@ -6,3 +6,5 @@ temp/
example_models/Si/models/GAP/*
!example_models/Si/models/GAP/README
.DS_Store
+*.eggs
+*.egg-info
\ No newline at end of file
diff --git a/README.md b/README.md
index 44b5f0636..7ce7eab77 100644
--- a/README.md
+++ b/README.md
@@ -92,3 +92,27 @@ directory. This routine loads up a file called `bulk.xyz` from the same test dir
(this is why the full path name of the `test.py` script has to be
passed as the first argument), and calculates the Energy-Volume curve
of that structure, and also computes the elastic constants.
+
+Install
+-------
+
+To use `testingframework` as a module, go to the git_dir and run
+
+```bash
+pip install -e .
+```
+ `-e` command ensures that changes to the scirpts will be kept up do date upon import.
+ Now utilities can be importes as `from testingframework.share.utilities`
+
+
+Formatting
+----------
+
+The git repo is formatted using `black`. Install `black` using
+```bash
+pip install black
+# or
+conda install -c conda-forge black
+```
+
+To [use black](https://www.freecodecamp.org/news/auto-format-your-python-code-with-black/) simpy do: `black file_to_format.py` or use `black *` to format whole direcotries, or whole repository. The easiest way to use black is by integrating it into your favorite ediotr: [for VS Code](https://dev.to/adamlombard/how-to-use-the-black-python-code-formatter-in-vscode-3lo0), [for Jupyter Noteooks](https://github.com/drillan/jupyter-black).
\ No newline at end of file
diff --git a/example_models/Si/models/CASTEP_ASE/model.py b/example_models/Si/models/CASTEP_ASE/model.py
deleted file mode 100644
index d8fb9c83c..000000000
--- a/example_models/Si/models/CASTEP_ASE/model.py
+++ /dev/null
@@ -1,34 +0,0 @@
-import os
-from distutils import spawn
-from ase.calculators.castep import Castep
-
-model_abs_dir = os.path.abspath(os.path.dirname(__file__))
-
-mpirun = "mpirun"
-mpirun_args = "-n 16"
-castep = "castep.mpi"
-
-os.environ['CASTEP_COMMAND'] = '{0} {1} {2}'.format(mpirun, mpirun_args, castep)
-
-no_checkpoint = True
-
-def start(test_name):
- global calculator
- calculator = Castep(directory=test_name,
- cut_off_energy=250,
- spin_polarized=False,
- opt_strategy='speed',
- xc_functional='PW91',
- elec_energy_tol='0.0000001',
- max_scf_cycles=250,
- fix_occupancy=False,
- calculate_stress=True,
- finite_basis_corr='automatic',
- smearing_width='0.05',
- fine_grid_scale=4,
- mixing_scheme='pulay',
- mix_history_length=20,
- num_dump_cycles=0,
- kpoints_mp_spacing='0.030', # note that other values were used for some tests, e.g. 0.015 for bulk E(V), 0.07 for minimization of GAP amorphous structures, and perhaps some other variations
- species_pot = ("Si","{}/Si_OTF.usp".format(model_abs_dir)),
- perc_extra_bands=200)
diff --git a/scripts/analyze_Bain_path.py b/scripts/analyze_Bain_path.py
deleted file mode 100755
index 951fe03ba..000000000
--- a/scripts/analyze_Bain_path.py
+++ /dev/null
@@ -1,38 +0,0 @@
-#!/usr/bin/env python3
-
-from analyze_utils import *
-import numpy as np
-from ase.units import _k
-import matplotlib.pyplot as plt
-
-(args, models, tests, default_analysis_settings) = analyze_start('Bain_path_*')
-
-ref_linestyles=[ "-", "--" ]
-other_linestyles=[ ":", "-." ]
-struct_colors = [ "black", "red", "blue", "orange", "green", "brown", "grey", "magenta","cyan" ]
-ref_model_name = default_analysis_settings["ref_model"]
-
-# read and parse all Bain_data
-Bain_data = read_properties(models, tests, args.test_set)
-
-for test in tests:
- ref_Bain = Bain_data[ref_model_name][test]['Bain_path_E']
-
- f, ax = plt.subplots(figsize=(7,5))
-
- ax.plot([v[0] for v in ref_Bain], [v[1] for v in ref_Bain], label=ref_model_name, linestyle=ref_linestyles[0], color="black")
- #ax1.set_xlabel("Unrelaxed opening ($\AA$)")
- ax.set_xlabel("c/a")
- ax.set_ylabel("Energy (eV/atom)")
-
- i = 0
- for model in sorted(Bain_data.keys()):
- if bool(Bain_data[model]) is True and model != ref_model_name:
- i += 1
- ax.plot([v[0] for v in Bain_data[model][test]['Bain_path_E']], [v[1] for v in Bain_data[model][test]['Bain_path_E']],
- label=model, color=struct_colors[i], linestyle=other_linestyles[0])
-
- #plt.title(test)
- ax.legend()
- f.tight_layout()
- f.savefig("{}.pdf".format(test), bbox_inches='tight') ####
diff --git a/scripts/analyze_RSS.py b/scripts/analyze_RSS.py
deleted file mode 100644
index 2c7348029..000000000
--- a/scripts/analyze_RSS.py
+++ /dev/null
@@ -1,73 +0,0 @@
-#!/usr/bin/env python
-
-from analyze_utils import *
-import numpy as np
-from ase.units import _k
-import matplotlib.pyplot as plt
-
-(args, models, tests, default_analysis_settings) = analyze_start('gap_6_rss_like_open_ended_minima_rerelax_sd2')
-
-try:
- (mcc_compositions, mcc_energies) = get_multicomponent_constraints(args.test_set, models, default_analysis_settings["multicomponent_constraints"])
-except:
- (mcc_compositions, mcc_energies) = (None, None)
-
-# print("multicomponent_constraints_data ", multicomponent_constraints_data)
-
-from multicomponent_mu_range import mu_range
-
-ref_linestyles=[ "-", "--" ]
-other_linestyles=[ ":", "-." ]
-struct_colors = [ "red", "blue", "orange", "green", "brown", "grey", "magenta","cyan" ]
-ref_model_name = default_analysis_settings["ref_model"]
-
-# read and parse all data
-rss_data = read_properties(models, tests, args.test_set)
-
-print(rss_data)
-
-#ace_name = "pACE_B8_N4_18_rid_1.20"
-
-A, B = rss_data[ref_model_name]['gap_6_rss_like_open_ended_minima_rerelax_sd2']["V_unrelaxed"], rss_data[ref_model_name]['gap_6_rss_like_open_ended_minima_rerelax_sd2']["E_unrelaxed"]
-C, D = rss_data[ref_model_name]['gap_6_rss_like_open_ended_minima_rerelax_sd2']["V_relaxed"], rss_data[ref_model_name]['gap_6_rss_like_open_ended_minima_rerelax_sd2']["E_relaxed"]
-
-
-from matplotlib.collections import LineCollection
-
-
-f, (a0, a1) = plt.subplots(2, 1, gridspec_kw={'height_ratios': [3, 1]}, figsize=(5,7))
-
-a0.plot(A, B, '_', marker='o', color="grey", markersize=2, label="CASTEP_unrelaxed")
-a0.plot(C, D, '_', marker='o', color="black", markersize=2, label="CASTEP_relaxed")
-L = list(zip(list(zip(A,B)),list(zip(C,D))))
-lc = LineCollection(L, colors=["grey"], linewidth=0.5)
-a0.add_collection(lc)
-
-K = []
-K.append(D)
-histcolors = ["black"]
-
-for (i,model) in enumerate(models):
- if model != ref_model_name:
- C, D = rss_data[model]['gap_6_rss_like_open_ended_minima_rerelax_sd2']["V_relaxed"], rss_data[model]['gap_6_rss_like_open_ended_minima_rerelax_sd2']["E_relaxed"]
- L = list(zip(list(zip(A,B)),list(zip(C,D))))
- lc = LineCollection(L, colors=["grey"], linewidth=0.5)
- a0.add_collection(lc)
- a0.plot(C, D, '_', marker='o', color=struct_colors[i], markersize=2, label=model)
- histcolors.append(struct_colors[i])
- K.append(D)
- #a1.hist(D, color=struct_colors[i], label=model, bins=15, alpha=0.8)
-
-#a1.hist(D, color="black", label="CASTEP_relaxed", bins=15, alpha=0.8)
-a1.hist(K, color=histcolors, bins=18)
-a1.set_xlabel("Energy (ev/Atom)")
-a1.set_ylabel("Occurence")
-a0.set_ylabel("Energy (ev/Atom)")
-a0.set_xlabel("Volume [A^3/Atom]")
-
-a0.legend()
-# plt.xlabel("Volumes [A^3]")
-# plt.ylabel("Energy [eV/atom]")
-# plt.xlim(10, 75)
-# plt.ylim(-164.5, -161.5)
-plt.savefig("RSS.pdf")
diff --git a/scripts/analyze_chemical_order.py b/scripts/analyze_chemical_order.py
deleted file mode 100755
index 31b5e90f3..000000000
--- a/scripts/analyze_chemical_order.py
+++ /dev/null
@@ -1,80 +0,0 @@
-#!/usr/bin/env python
-
-import matplotlib
-matplotlib.use('PDF')
-from matplotlib.pyplot import *
-
-import json
-import ase.io
-from ase.data import chemical_symbols
-from analyze_utils import *
-import math
-
-(args, models, chem_order_tests, default_analysis_settings) = analyze_start('chemical_order_*')
-print("got tests",chem_order_tests)
-ref_model_name = default_analysis_settings["ref_model"]
-
-# read and parse all data
-data = {}
-for model_name in models:
- sys.stderr.write("reading data for model {}\n".format(model_name))
- cur_model_data = {}
- for chem_order_test_name in chem_order_tests:
- sys.stderr.write(" reading data for test {}\n".format(chem_order_test_name))
-
- # read chem_order test properties
- prop_filename ="{}-model-{}-test-{}-properties.json".format(args.test_set, model_name, chem_order_test_name)
- try:
- with open(prop_filename, "r") as model_data_file:
- json_data = json.load(model_data_file)
- except:
- sys.stderr.write("No properties file '{}'\n".format(prop_filename))
- continue
-
- cur_model_data[chem_order_test_name] = json_data.copy()
-
- if len(cur_model_data.keys()) > 0:
- print("got data for ",model_name, cur_model_data.keys())
- data[model_name] = cur_model_data.copy()
-
-n_fig = 0
-figure_nums = {}
-for (model_i, model_name) in enumerate(sorted(data)):
- print("plot model",model_name, data[model_name])
-
- for chem_order_test_name in chem_order_tests:
- if chem_order_test_name not in figure_nums:
- n_fig += 1
- figure_nums[chem_order_test_name] = n_fig
- figure(figure_nums[chem_order_test_name])
- if chem_order_test_name not in data[model_name]:
- sys.stderr.write("skipping struct {} in plotting model {}\n".format(chem_order_test_name, model_name))
- continue
-
- if model_name != ref_model_name:
- if 'unrelaxed_energy_per_atom' in data[model_name][chem_order_test_name]:
- line, = plot( data[ref_model_name][chem_order_test_name]["unrelaxed_energy_per_atom"],
- data[model_name][chem_order_test_name]["unrelaxed_energy_per_atom"],
- ' ', color='C{}'.format(model_i), label="{} {} unrelaxed".format(model_name,chem_order_test_name) )
- line.set_marker('o')
- line.set_markerfacecolor("None")
- line.set_markersize(4.0)
- if 'relaxed_energy_per_atom' in data[model_name][chem_order_test_name]:
- line, = plot( data[ref_model_name][chem_order_test_name]["relaxed_energy_per_atom"],
- data[model_name][chem_order_test_name]["relaxed_energy_per_atom"],
- ' ', color='C{}'.format(model_i), label="{} {} relaxed".format(model_name,chem_order_test_name) )
- line.set_marker('o')
- line.set_markersize(4.0)
-
-for chem_order_test_name in figure_nums:
- figure(figure_nums[chem_order_test_name])
- legend(loc="center left", bbox_to_anchor=[1, 0.5])
- xlabel("ref E (eV/atom)")
- ylabel("E (eV/atom)")
- x_range = ( min(data[ref_model_name][chem_order_test_name]["unrelaxed_energy_per_atom"]), max(data[ref_model_name][chem_order_test_name]["unrelaxed_energy_per_atom"]) )
- try:
- x_range = ( min(x_range[0], min(data[ref_model_name][chem_order_test_name]["relaxed_energy_per_atom"])), max(x_range[1], max(data[ref_model_name][chem_order_test_name]["relaxed_energy_per_atom"])))
- except:
- pass
- plot([x_range[0],x_range[1]], [x_range[0],x_range[1]], '--', color='black', label=None)
- savefig("{}_scatterplot.pdf".format(chem_order_test_name), bbox_inches='tight')
diff --git a/scripts/analyze_decoh.py b/scripts/analyze_decoh.py
deleted file mode 100644
index 9cd479f1a..000000000
--- a/scripts/analyze_decoh.py
+++ /dev/null
@@ -1,52 +0,0 @@
-#!/usr/bin/env python
-
-from analyze_utils import *
-import numpy as np
-from ase.units import _k
-import matplotlib.pyplot as plt
-
-(args, models, tests, default_analysis_settings) = analyze_start('surface-decohesion-*')
-
-try:
- (mcc_compositions, mcc_energies) = get_multicomponent_constraints(args.test_set, models, default_analysis_settings["multicomponent_constraints"])
-except:
- (mcc_compositions, mcc_energies) = (None, None)
-
-# print("multicomponent_constraints_decoh_data ", multicomponent_constraints_decoh_data)
-
-from multicomponent_mu_range import mu_range
-
-ref_linestyles=[ "-", "--" ]
-other_linestyles=[ ":", "-." ]
-struct_colors = [ "black", "red", "blue", "orange", "green", "brown", "grey", "magenta","cyan" ]
-ref_model_name = default_analysis_settings["ref_model"]
-
-# read and parse all decoh_data
-decoh_data = read_properties(models, tests, args.test_set)
-
-for test in tests:
- ref_opening = decoh_data[ref_model_name][test]['surface_decohesion_unrelaxed_opening']
- ref_energy = decoh_data[ref_model_name][test]['surface_decohesion_unrelaxed_energy']
- ref_stress = decoh_data[ref_model_name][test]['surface_decohesion_unrelaxed_stress']
-
- #f, (ax1, ax2) = plt.subplots(1, 2, figsize=(12,5))
- f, (ax1, ax2) = plt.subplots(2, 1, figsize=(5,6))
-
- ax1.plot(ref_opening, ref_energy, label=ref_model_name, linestyle=ref_linestyles[0], color="black")
- #ax1.set_xlabel("Unrelaxed opening ($\AA$)")
- ax1.set_ylabel("Energy (eV)")
- ax2.plot(ref_opening, ref_stress, label=ref_model_name, linestyle=ref_linestyles[0], color="black")
- ax2.set_xlabel("Unrelaxed opening ($\AA$)")
- ax2.set_ylabel(r"Stress (eV/$\AA$)")
-
- i = 0
- for model in sorted(decoh_data.keys()):
- if bool(decoh_data[model]) is True and model != ref_model_name:
- i += 1
- ax1.plot(decoh_data[model][test]['surface_decohesion_unrelaxed_opening'], decoh_data[model][test]['surface_decohesion_unrelaxed_energy'], label=model, color=struct_colors[i])#, linestyle=other_linestyles[0])
- ax2.plot(decoh_data[model][test]['surface_decohesion_unrelaxed_opening'], decoh_data[model][test]['surface_decohesion_unrelaxed_stress'], label=model, color=struct_colors[i])#, linestyle=other_linestyles[0])
-
- #plt.title(test)
- ax1.legend()
- plt.tight_layout()
- plt.savefig("{}.pdf".format(test), bbox_inches='tight') ####
diff --git a/scripts/analyze_phonon.py b/scripts/analyze_phonon.py
deleted file mode 100644
index 80d375776..000000000
--- a/scripts/analyze_phonon.py
+++ /dev/null
@@ -1,178 +0,0 @@
-#!/usr/bin/env python
-
-import numpy as np
-from analyze_utils import *
-import matplotlib
-matplotlib.use('PDF')
-from matplotlib import pyplot
-
-import phonopy
-import ase.units
-
-(args, models, tests, default_analysis_settings) = analyze_start(['phonon_bulks'])
-
-data = read_properties(models, tests, args.test_set)
-
-ref_model_name = default_analysis_settings["ref_model"]
-
-def analyze_phonons(m_data):
- THz_per_invcm = ase.units._c * 1.0e-10
-
- at0 = ase.atoms.Atoms(symbols = m_data['symb'],
- scaled_positions = np.asarray(m_data['scaled_pos']),
- masses = np.asarray(m_data['m']), cell = np.asarray(m_data['c']), pbc=[True]*3)
- phonopy_atoms = phonopy.structure.atoms.PhonopyAtoms(symbols = m_data['symb'],
- scaled_positions = np.asarray(m_data['scaled_pos']),
- masses = np.asarray(m_data['m']), cell = np.asarray(m_data['c']))
- phonons = phonopy.Phonopy(phonopy_atoms, m_data['n_cell'], factor=m_data['unit_factor'])
- phonons.generate_displacements(distance=m_data['dx'])
-
- phonons.produce_force_constants(forces=np.asarray(m_data['all_forces']), calculate_full_force_constants=True )
- phonons.symmetrize_force_constants()
-
- # DOS
- n_dos_mesh = 16
- phonons.run_mesh( [n_dos_mesh]*3 )
-
- phonons.run_total_dos()
- frequencies = phonons.get_total_dos_dict()['frequency_points']
- PHdos = phonons.get_total_dos_dict()['total_dos']
-
- #contains by columns the frequencies in cm^{-1} and the vDOS
- #the vDOS ins in units of "number of states/(unit cell x frequency[cm^{-1}])"
- # i.e. if you integrate the vDOS throughout frequency, it will be 3N, where N is the number of atoms in the unit cell
- m_data['DOS'] = { 'freq' : frequencies/THz_per_invcm, 'val' : PHdos*THz_per_invcm }
-
- # band path
- if 'band_path' in m_data:
- band_path = m_data['band_path']
- band_n = [20]
-
- lat = at0.get_cell().get_bravais_lattice()
- special_points = lat.get_special_points()
- path_pts = []
- path_labels = []
- pt = []
- for s in " ".join(band_path).split():
- try:
- qi = float(s)
- pt.append(qi)
- except:
- if len(pt) > 0:
- raise RuntimeError("got non-float after 1 or more floats")
- for p in s:
- try:
- path_pts.append(np.asarray(special_points[p]))
- path_labels.append(p)
- except KeyError:
- raise RuntimeError("Failed to find special point {}, known {}".format(p, special_points.keys()))
- if len(pt) == 3:
- path_pts.append(np.asarray(pt))
- path_labels.append("{:.2f}_{:.2f}_{:.2f}".format(*pt))
- pt = []
-
- if len(band_n) == 1:
- band_n *= len(path_pts)-1
- assert len(band_n) == len(path_pts)-1
-
- q_pts = []
- q_pt_labels = []
- for (seg_i, (label, n, p0, p1)) in enumerate(zip(path_labels[0:-1], band_n, path_pts[0:-1], path_pts[1:])):
- for p_i in range(n):
- x = float(p_i)/float(n)
-
- q_pts.append ( (1.0-x) * p0 + x*p1 )
-
- if p_i == 0:
- q_pt_labels.append(label)
- else:
- q_pt_labels.append(".")
-
- q_pts.append(path_pts[-1])
- q_pt_labels.append(path_labels[-1])
-
- phonons.run_band_structure([q_pts])
- bs = phonons.get_band_structure_dict()
- m_data['BAND_PATH'] = {
- 'positions' : bs['distances'][0],
- 'frequencies' : bs['frequencies'][0]/THz_per_invcm,
- 'labels' : q_pt_labels }
-
-if ref_model_name in data and "phonons" in data[ref_model_name]:
- for (bulk_i, bulk_struct_test) in enumerate(data[ref_model_name]["phonons"]):
- print("analyze ref model", ref_model_name, bulk_struct_test)
- analyze_phonons(data[ref_model_name]["phonons"][bulk_struct_test])
-
-bulk_struct_tests = []
-for model_name in models:
- if model_name in data and "phonons" in data[model_name]:
- for bulk_struct_test in data[model_name]["phonons"]:
- if bulk_struct_test not in bulk_struct_tests:
- bulk_struct_tests.append(bulk_struct_test)
-
-for model_name in models:
- if model_name == ref_model_name and len(models) > 1:
- continue
- print("analyze model", model_name)
- fig_DOS = pyplot.figure(figsize=(6,len(models)*4))
- for (bulk_i, bulk_struct_test) in enumerate(bulk_struct_tests):
- if "phonons" not in data[model_name]:
- continue
-
- fig_BP = pyplot.figure()
- ax_BP = fig_BP.add_subplot(1, 1, 1) #fig_BP.add_subplot(len(data[ref_model_name]["phonons"]),1,bulk_i+1)
- ax_DOS = fig_DOS.add_subplot(len(data[model_name]["phonons"]),1,bulk_i+1)
-
- try:
- ref_model_data = data[ref_model_name]["phonons"][bulk_struct_test]
- except:
- ref_model_data = None
-
- try:
- model_data = data[model_name]["phonons"][bulk_struct_test]
- except:
- continue
-
- print("analyze model-bulk", model_name, bulk_struct_test)
- analyze_phonons(model_data)
-
- if ref_model_data is not None and 'DOS' in ref_model_data:
- ax_DOS.plot(ref_model_data['DOS']['freq'], ref_model_data['DOS']['val'], ":", color='C{}'.format(bulk_i), label=ref_model_name)
- if 'DOS' in model_data:
- ax_DOS.plot(model_data['DOS']['freq'], model_data['DOS']['val'], "-", color='C{}'.format(bulk_i), label=bulk_struct_test)
- ax_DOS.set_xlabel("freq (cm$^{-1}$)")
- ax_DOS.set_ylabel("DOS (arb. units)")
- ylim = ax_DOS.get_ylim()
- ax_DOS.set_ylim(0.0, ylim[1])
- ax_DOS.legend()
-
- if ref_model_data is not None and 'BAND_PATH' in ref_model_data:
- for i in range(ref_model_data['BAND_PATH']['frequencies'].shape[1]):
- ax_BP.plot(ref_model_data['BAND_PATH']['positions'], ref_model_data['BAND_PATH']['frequencies'][:,i], ":", color='C{}'.format(bulk_i),
- label=ref_model_name if i == 0 else None)
- if 'BAND_PATH' in model_data:
- for i in range(model_data['BAND_PATH']['frequencies'].shape[1]):
- ax_BP.plot(model_data['BAND_PATH']['positions'], model_data['BAND_PATH']['frequencies'][:,i], "-", color='C{}'.format(bulk_i),
- label=model_name if i == 0 else None)
-
- if bulk_i == len(bulk_struct_tests)-1:
- ax_BP.set_xlabel("BZ point")
- ax_BP.set_ylabel("freq. (cm$^{-1}$)")
- ax_BP.set_xticks([p for p,l in zip(model_data['BAND_PATH']['positions'], model_data['BAND_PATH']['labels']) if l != '.'])
- ax_BP.set_xticklabels([l for l in model_data['BAND_PATH']['labels'] if l != '.'])
- ax_BP.set_xlim(model_data['BAND_PATH']['positions'][0],model_data['BAND_PATH']['positions'][-1])
- ylim = ax_BP.get_ylim()
- for p, l in zip(model_data['BAND_PATH']['positions'][1:-1], model_data['BAND_PATH']['labels'][1:-1]):
- if l != '.':
- ax_BP.plot([p,p],ylim, '-', color='black', label=None)
- ax_BP.set_ylim(ylim)
- ax_BP.legend(loc='upper right')
- ax_BP.axhline(color='black', linewidth=0.5)
-
- ax_BP.set_title(bulk_struct_test)
- fig_BP.savefig("phonons_BAND_PATH-"+model_name+"-"+bulk_struct_test+".pdf")
-
-fig_DOS.savefig("phonons_DOS-"+model_name+".pdf")
-pyplot.clf()
-
-print("")
diff --git a/scripts/analyze_phonon_bulks.py b/scripts/analyze_phonon_bulks.py
deleted file mode 100755
index 26cbee137..000000000
--- a/scripts/analyze_phonon_bulks.py
+++ /dev/null
@@ -1,193 +0,0 @@
-#!/usr/bin/env python
-
-import numpy as np
-from analyze_utils import *
-import matplotlib
-matplotlib.use('PDF')
-from matplotlib import pyplot
-
-import phonopy
-import ase.units
-
-(args, models, tests, default_analysis_settings) = analyze_start(['phonon_bulks_*'])
-
-data = read_properties(models, tests, args.test_set)
-
-ref_model_name = default_analysis_settings["ref_model"]
-
-def analyze_phonons(m_data):
- THz_per_invcm = ase.units._c * 1.0e-10
-
- at0 = ase.atoms.Atoms(symbols = m_data['symb'],
- scaled_positions = np.asarray(m_data['scaled_pos']),
- masses = np.asarray(m_data['m']), cell = np.asarray(m_data['c']), pbc=[True]*3)
- phonopy_atoms = phonopy.structure.atoms.PhonopyAtoms(symbols = m_data['symb'],
- scaled_positions = np.asarray(m_data['scaled_pos']),
- masses = np.asarray(m_data['m']), cell = np.asarray(m_data['c']))
- phonons = phonopy.Phonopy(phonopy_atoms, m_data['n_cell'], factor=m_data['unit_factor'])
- phonons.generate_displacements(distance=m_data['dx'])
-
- phonons.produce_force_constants(forces=np.asarray(m_data['all_forces']), calculate_full_force_constants=True )
- phonons.symmetrize_force_constants()
-
- # DOS
- n_dos_mesh = 16
- phonons.run_mesh( [n_dos_mesh]*3 )
-
- phonons.run_total_dos()
- frequencies = phonons.get_total_dos_dict()['frequency_points']
- PHdos = phonons.get_total_dos_dict()['total_dos']/len(at0)
-
- #contains by columns the frequencies in cm^{-1} and the vDOS
- #the vDOS ins in units of "number of states/(unit cell x frequency[cm^{-1}])"
- # i.e. if you integrate the vDOS throughout frequency, it will be 3N, where N is the number of atoms in the unit cell
- m_data['DOS'] = { 'freq' : frequencies/THz_per_invcm, 'val' : PHdos*THz_per_invcm }
-
- # band path
- if 'band_path' in m_data:
- band_path = m_data['band_path']
- band_n = [20]
-
- lat = at0.get_cell().get_bravais_lattice()
- special_points = lat.get_special_points()
- path_pts = []
- path_labels = []
- pt = []
- for s in " ".join(band_path).split():
- try:
- qi = float(s)
- pt.append(qi)
- except:
- if len(pt) > 0:
- raise RuntimeError("got non-float after 1 or more floats")
- for p in s:
- try:
- path_pts.append(np.asarray(special_points[p]))
- path_labels.append(p)
- except KeyError:
- raise RuntimeError("Failed to find special point {}, known {}".format(p, special_points.keys()))
- if len(pt) == 3:
- path_pts.append(np.asarray(pt))
- path_labels.append("{:.2f}_{:.2f}_{:.2f}".format(*pt))
- pt = []
-
- if len(band_n) == 1:
- band_n *= len(path_pts)-1
- assert len(band_n) == len(path_pts)-1
-
- q_pts = []
- q_pt_labels = []
- for (seg_i, (label, n, p0, p1)) in enumerate(zip(path_labels[0:-1], band_n, path_pts[0:-1], path_pts[1:])):
- for p_i in range(n):
- x = float(p_i)/float(n)
-
- q_pts.append ( (1.0-x) * p0 + x*p1 )
-
- if p_i == 0:
- q_pt_labels.append(label)
- else:
- q_pt_labels.append(".")
-
- q_pts.append(path_pts[-1])
- q_pt_labels.append(path_labels[-1])
-
- phonons.run_band_structure([q_pts])
- bs = phonons.get_band_structure_dict()
- m_data['BAND_PATH'] = {
- 'positions' : bs['distances'][0],
- 'frequencies' : bs['frequencies'][0]/THz_per_invcm,
- 'labels' : q_pt_labels }
-
-phonon_test_names = {}
-for model_name in models:
- phonon_test_names[model_name] = []
- for k in data[model_name].keys():
- if k.startswith("phonon_bulks"):
- phonon_test_names[model_name].append(k)
-print("phonon_test_names", phonon_test_names)
-
-if ref_model_name in data and ref_model_name in phonon_test_names:
- for phonon_test_name in phonon_test_names[model_name]:
- for bulk_struct_test in data[ref_model_name][phonon_test_name]:
- print("analyze ref model", ref_model_name, bulk_struct_test)
- analyze_phonons(data[ref_model_name][phonon_test_name][bulk_struct_test])
-
-for model_name in models:
- if model_name == ref_model_name and len(models) > 1:
- # don't plot reference model compared to itself
- continue
-
- bulk_struct_tests = []
- for phonon_test_name in phonon_test_names[model_name]:
- for bulk_struct_test in data[model_name][phonon_test_name]:
- if bulk_struct_test not in bulk_struct_tests:
- bulk_struct_tests.append(bulk_struct_test)
-
- print("analyze model", model_name)
- fig_DOS = pyplot.figure()
- ax_DOS = fig_DOS.add_subplot(1,1,1)
-
- n_panels = 0
- for phonon_test_name in phonon_test_names[model_name]:
- n_panels += len(data[model_name][phonon_test_name])
- print("n_panels", n_panels)
-
- fig_BP = pyplot.figure(figsize=(10,5*n_panels))
-
- panel_i = 0
- for phonon_test_name in phonon_test_names[model_name]:
- for bulk_struct_test in data[model_name][phonon_test_name]:
- panel_i += 1
- ax_BP = fig_BP.add_subplot(n_panels, 1, panel_i)
-
- try:
- ref_model_data = data[ref_model_name][phonon_test_name][bulk_struct_test]
- except:
- ref_model_data = None
- try:
- model_data = data[model_name][phonon_test_name][bulk_struct_test]
- except:
- continue
-
- print("analyze model-bulk", model_name, bulk_struct_test)
- analyze_phonons(model_data)
-
- if ref_model_data is not None and 'DOS' in ref_model_data:
- ax_DOS.plot(ref_model_data['DOS']['freq'], ref_model_data['DOS']['val'], "-", color='C{}'.format(panel_i-1), label=None)
- if 'DOS' in model_data:
- ax_DOS.plot(model_data['DOS']['freq'], model_data['DOS']['val'], ":", color='C{}'.format(panel_i-1), label=bulk_struct_test)
-
- if ref_model_data is not None and 'BAND_PATH' in ref_model_data:
- for i in range(ref_model_data['BAND_PATH']['frequencies'].shape[1]):
- ax_BP.plot(ref_model_data['BAND_PATH']['positions'], ref_model_data['BAND_PATH']['frequencies'][:,i], "-", color='C{}'.format(panel_i-1),
- label=None)
- if 'BAND_PATH' in model_data:
- for i in range(model_data['BAND_PATH']['frequencies'].shape[1]):
- ax_BP.plot(model_data['BAND_PATH']['positions'], model_data['BAND_PATH']['frequencies'][:,i], ":", color='C{}'.format(panel_i-1),
- label=bulk_struct_test if i == 0 else None)
-
- if panel_i == n_panels:
- ax_BP.set_xlabel("BZ point")
- ax_BP.set_ylabel("freq. (cm$^{-1}$)")
- ax_BP.set_xticks([p for p,l in zip(model_data['BAND_PATH']['positions'], model_data['BAND_PATH']['labels']) if l != '.'])
- ax_BP.set_xticklabels([l for l in model_data['BAND_PATH']['labels'] if l != '.'])
- ax_BP.set_xlim(model_data['BAND_PATH']['positions'][0],model_data['BAND_PATH']['positions'][-1])
- ylim = ax_BP.get_ylim()
- for p, l in zip(model_data['BAND_PATH']['positions'][1:-1], model_data['BAND_PATH']['labels'][1:-1]):
- if l != '.':
- ax_BP.plot([p,p],ylim, '-', color='black', label=None)
- ax_BP.set_ylim(ylim)
- ax_BP.legend(loc='upper right')
- ax_BP.axhline(color='black', linewidth=0.5)
-
- ax_DOS.set_xlabel("freq (cm$^{-1}$)")
- ax_DOS.set_ylabel("DOS (arb. units)")
- ylim = ax_DOS.get_ylim()
- ax_DOS.set_ylim(0.0, ylim[1])
- ax_DOS.legend()
-
- fig_DOS.savefig("phonon_bulks_DOS-"+model_name+".pdf", bbox_inches='tight')
- fig_BP.savefig("phonon_bulks_BAND_PATH-"+model_name+".pdf", bbox_inches='tight')
- pyplot.clf()
-
- print("")
diff --git a/scripts/analyze_phonon_bulks_paper.py b/scripts/analyze_phonon_bulks_paper.py
deleted file mode 100644
index 73f89aa36..000000000
--- a/scripts/analyze_phonon_bulks_paper.py
+++ /dev/null
@@ -1,181 +0,0 @@
-#!/usr/bin/env python
-
-import numpy as np
-from analyze_utils import *
-import matplotlib
-matplotlib.use('PDF')
-from matplotlib import pyplot
-
-import phonopy
-import ase.units
-
-(args, models, tests, default_analysis_settings) = analyze_start(['phonon_bulks'])
-
-data = read_properties(models, tests, args.test_set)
-
-ref_model_name = default_analysis_settings["ref_model"]
-
-def analyze_phonons(m_data):
- THz_per_invcm = ase.units._c * 1.0e-10
-
- at0 = ase.atoms.Atoms(symbols = m_data['symb'],
- scaled_positions = np.asarray(m_data['scaled_pos']),
- masses = np.asarray(m_data['m']), cell = np.asarray(m_data['c']), pbc=[True]*3)
- phonopy_atoms = phonopy.structure.atoms.PhonopyAtoms(symbols = m_data['symb'],
- scaled_positions = np.asarray(m_data['scaled_pos']),
- masses = np.asarray(m_data['m']), cell = np.asarray(m_data['c']))
- phonons = phonopy.Phonopy(phonopy_atoms, m_data['n_cell'], factor=m_data['unit_factor'])
- phonons.generate_displacements(distance=m_data['dx'])
-
- phonons.produce_force_constants(forces=np.asarray(m_data['all_forces']), calculate_full_force_constants=True )
- phonons.symmetrize_force_constants()
-
- # DOS
- n_dos_mesh = 16
- phonons.run_mesh( [n_dos_mesh]*3 )
-
- phonons.run_total_dos()
- frequencies = phonons.get_total_dos_dict()['frequency_points']
- PHdos = phonons.get_total_dos_dict()['total_dos']
-
- #contains by columns the frequencies in cm^{-1} and the vDOS
- #the vDOS ins in units of "number of states/(unit cell x frequency[cm^{-1}])"
- # i.e. if you integrate the vDOS throughout frequency, it will be 3N, where N is the number of atoms in the unit cell
- m_data['DOS'] = { 'freq' : frequencies/THz_per_invcm, 'val' : PHdos*THz_per_invcm }
-
- # band path
- if 'band_path' in m_data:
- band_path = m_data['band_path']
- band_n = [20]
-
- lat = at0.get_cell().get_bravais_lattice()
- special_points = lat.get_special_points()
- path_pts = []
- path_labels = []
- pt = []
- for s in " ".join(band_path).split():
- try:
- qi = float(s)
- pt.append(qi)
- except:
- if len(pt) > 0:
- raise RuntimeError("got non-float after 1 or more floats")
- for p in s:
- try:
- path_pts.append(np.asarray(special_points[p]))
- path_labels.append(p)
- except KeyError:
- raise RuntimeError("Failed to find special point {}, known {}".format(p, special_points.keys()))
- if len(pt) == 3:
- path_pts.append(np.asarray(pt))
- path_labels.append("{:.2f}_{:.2f}_{:.2f}".format(*pt))
- pt = []
-
- if len(band_n) == 1:
- band_n *= len(path_pts)-1
- assert len(band_n) == len(path_pts)-1
-
- q_pts = []
- q_pt_labels = []
- for (seg_i, (label, n, p0, p1)) in enumerate(zip(path_labels[0:-1], band_n, path_pts[0:-1], path_pts[1:])):
- for p_i in range(n):
- x = float(p_i)/float(n)
-
- q_pts.append ( (1.0-x) * p0 + x*p1 )
-
- if p_i == 0:
- q_pt_labels.append(label)
- else:
- q_pt_labels.append(".")
-
- q_pts.append(path_pts[-1])
- q_pt_labels.append(path_labels[-1])
-
- phonons.run_band_structure([q_pts])
- bs = phonons.get_band_structure_dict()
- m_data['BAND_PATH'] = {
- 'positions' : bs['distances'][0],
- 'frequencies' : bs['frequencies'][0]/THz_per_invcm,
- 'labels' : q_pt_labels }
-
-if ref_model_name in data and "phonon_bulks" in data[ref_model_name]:
- for (bulk_i, bulk_struct_test) in enumerate(data[ref_model_name]["phonon_bulks"]):
- print("analyze ref model", ref_model_name, bulk_struct_test)
- analyze_phonons(data[ref_model_name]["phonon_bulks"][bulk_struct_test])
-
-bulk_struct_tests = []
-for model_name in models:
- if model_name in data and "phonon_bulks" in data[model_name]:
- for bulk_struct_test in data[model_name]["phonon_bulks"]:
- if bulk_struct_test not in bulk_struct_tests:
- bulk_struct_tests.append(bulk_struct_test)
-
-fig_DOS = pyplot.figure()
-ax_DOS = fig_DOS.add_subplot(1,1,1)
-fig_BP = pyplot.figure()
-ax_BP = fig_BP.add_subplot(1,1,1)
-
-# label_dict = Dict(
-#
-# )
-colors = ['red', 'green', 'blue','cyan']
-
-k = 0
-
-for (j,model_name) in enumerate(models):
- if model_name == ref_model_name and len(models) > 1:
- continue
- print("analyze model", model_name)
- for (bulk_i, bulk_struct_test) in enumerate(bulk_struct_tests):
- if "phonon_bulks" not in data[model_name]:
- continue
-
- try:
- ref_model_data = data[ref_model_name]["phonon_bulks"][bulk_struct_test]
- except:
- ref_model_data = None
- try:
- model_data = data[model_name]["phonon_bulks"][bulk_struct_test]
- except:
- continue
-
- print("analyze model-bulk", model_name, bulk_struct_test)
- analyze_phonons(model_data)
-
- if ref_model_data is not None and 'BAND_PATH' in ref_model_data:
- for i in range(ref_model_data['BAND_PATH']['frequencies'].shape[1]):
- ax_BP.plot(ref_model_data['BAND_PATH']['positions'], ref_model_data['BAND_PATH']['frequencies'][:,i], "-", color='black',
- label=ref_model_name if k == 0 else None)
- k += 1
-
- if 'BAND_PATH' in model_data:
- for i in range(model_data['BAND_PATH']['frequencies'].shape[1]):
- ax_BP.plot(model_data['BAND_PATH']['positions'], model_data['BAND_PATH']['frequencies'][:,i], "-", color=colors[j],
- label=model_name if i == 0 else None)
-
- ax_BP.set_xticks([p for p,l in zip(model_data['BAND_PATH']['positions'], model_data['BAND_PATH']['labels']) if l != '.'])
- ax_BP.set_xticklabels([l for l in model_data['BAND_PATH']['labels'] if l != '.'])
- ax_BP.set_xlim(model_data['BAND_PATH']['positions'][0],model_data['BAND_PATH']['positions'][-1])
-
- #ax_BP.set_ylim(ylim)
- ylim = ax_DOS.get_ylim()
- if bulk_i == len(bulk_struct_tests)-1:
- ylim = ax_BP.get_ylim()
- for p, l in zip(ref_model_data['BAND_PATH']['positions'][1:-1], ref_model_data['BAND_PATH']['labels'][1:-1]):
- if l != '.':
- ax_BP.plot([p,p],ylim, '-', color='black', label=None, linewidth=0.5)
-
-ax_BP.set_xlabel("BZ point")
-ax_BP.set_ylim(ylim)
-ax_BP.legend(loc='upper right')
-ax_BP.axhline(color='black', linewidth=0.5)
-ax_BP.set_ylabel("freq. (cm$^{-1}$)")
-ax_DOS.set_xlabel("freq (cm$^{-1}$)")
-ax_DOS.set_ylabel("DOS (arb. units)")
-ylim = ax_DOS.get_ylim()
-ax_DOS.set_ylim(0.0, ylim[1])
-ax_DOS.legend()
-
-fig_DOS.savefig("phonon_bulks_DOS-PAPER.pdf")
-fig_BP.savefig("phonon_bulks_BAND_PATH-PAPER.pdf")
-pyplot.clf()
diff --git a/scripts/analyze_phonons.py b/scripts/analyze_phonons.py
deleted file mode 100755
index 6027298f6..000000000
--- a/scripts/analyze_phonons.py
+++ /dev/null
@@ -1,184 +0,0 @@
-#!/usr/bin/env python
-
-import numpy as np
-from analyze_utils import *
-import matplotlib
-matplotlib.use('PDF')
-from matplotlib import pyplot
-
-import phonopy
-import ase.units
-
-(args, models, tests, default_analysis_settings) = analyze_start(['phonon_bulks_*'])
-
-data = read_properties(models, tests, args.test_set)
-
-ref_model_name = default_analysis_settings["ref_model"]
-
-def analyze_phonons(m_data):
- THz_per_invcm = ase.units._c * 1.0e-10
-
- at0 = ase.atoms.Atoms(symbols = m_data['symb'],
- scaled_positions = np.asarray(m_data['scaled_pos']),
- masses = np.asarray(m_data['m']), cell = np.asarray(m_data['c']), pbc=[True]*3)
- phonopy_atoms = phonopy.structure.atoms.PhonopyAtoms(symbols = m_data['symb'],
- scaled_positions = np.asarray(m_data['scaled_pos']),
- masses = np.asarray(m_data['m']), cell = np.asarray(m_data['c']))
- phonons = phonopy.Phonopy(phonopy_atoms, m_data['n_cell'], factor=m_data['unit_factor'])
- phonons.generate_displacements(distance=m_data['dx'])
-
- phonons.produce_force_constants(forces=np.asarray(m_data['all_forces']), calculate_full_force_constants=True )
- phonons.symmetrize_force_constants()
-
- # DOS
- n_dos_mesh = 16
- phonons.run_mesh( [n_dos_mesh]*3 )
-
- phonons.run_total_dos()
- frequencies = phonons.get_total_dos_dict()['frequency_points']
- PHdos = phonons.get_total_dos_dict()['total_dos']
-
- #contains by columns the frequencies in cm^{-1} and the vDOS
- #the vDOS ins in units of "number of states/(unit cell x frequency[cm^{-1}])"
- # i.e. if you integrate the vDOS throughout frequency, it will be 3N, where N is the number of atoms in the unit cell
- m_data['DOS'] = { 'freq' : frequencies/THz_per_invcm, 'val' : PHdos*THz_per_invcm }
-
- # band path
- if 'band_path' in m_data:
- band_path = m_data['band_path']
- band_n = [20]
-
- lat = at0.get_cell().get_bravais_lattice()
- special_points = lat.get_special_points()
- path_pts = []
- path_labels = []
- pt = []
- for s in " ".join(band_path).split():
- try:
- qi = float(s)
- pt.append(qi)
- except:
- if len(pt) > 0:
- raise RuntimeError("got non-float after 1 or more floats")
- for p in s:
- try:
- path_pts.append(np.asarray(special_points[p]))
- path_labels.append(p)
- except KeyError:
- raise RuntimeError("Failed to find special point {}, known {}".format(p, special_points.keys()))
- if len(pt) == 3:
- path_pts.append(np.asarray(pt))
- path_labels.append("{:.2f}_{:.2f}_{:.2f}".format(*pt))
- pt = []
-
- if len(band_n) == 1:
- band_n *= len(path_pts)-1
- assert len(band_n) == len(path_pts)-1
-
- q_pts = []
- q_pt_labels = []
- for (seg_i, (label, n, p0, p1)) in enumerate(zip(path_labels[0:-1], band_n, path_pts[0:-1], path_pts[1:])):
- for p_i in range(n):
- x = float(p_i)/float(n)
-
- q_pts.append ( (1.0-x) * p0 + x*p1 )
-
- if p_i == 0:
- q_pt_labels.append(label)
- else:
- q_pt_labels.append(".")
-
- q_pts.append(path_pts[-1])
- q_pt_labels.append(path_labels[-1])
-
- phonons.run_band_structure([q_pts])
- bs = phonons.get_band_structure_dict()
- m_data['BAND_PATH'] = {
- 'positions' : bs['distances'][0],
- 'frequencies' : bs['frequencies'][0]/THz_per_invcm,
- 'labels' : q_pt_labels }
-
-if ref_model_name in data and "phonons" in data[ref_model_name]:
- for (bulk_i, bulk_struct_test) in enumerate(data[ref_model_name]["phonons"]):
- print("analyze ref model", ref_model_name, bulk_struct_test)
- analyze_phonons(data[ref_model_name]["phonons"][bulk_struct_test])
-
-bulk_struct_tests = []
-for model_name in models:
- if model_name in data and "phonons" in data[model_name]:
- for bulk_struct_test in data[model_name]["phonons"]:
- if bulk_struct_test not in bulk_struct_tests:
- bulk_struct_tests.append(bulk_struct_test)
-
-for model_name in models:
- if model_name == ref_model_name and len(models) > 1:
- continue
- print("analyze model", model_name)
- fig_DOS = pyplot.figure(figsize=(6,len(models)*4))
- for (bulk_i, bulk_struct_test) in enumerate(bulk_struct_tests):
- if "phonons" not in data[model_name]:
- continue
-
- fig_BP = pyplot.figure()
- ax_BP = fig_BP.add_subplot(1, 1, 1) #fig_BP.add_subplot(len(data[ref_model_name]["phonons"]),1,bulk_i+1)
- ax_DOS = fig_DOS.add_subplot(len(data[model_name]["phonons"]),1,bulk_i+1)
-
- try:
- ref_model_data = data[ref_model_name]["phonons"][bulk_struct_test]
- except:
- ref_model_data = None
-
- try:
- model_data = data[model_name]["phonons"][bulk_struct_test]
- except:
- continue
-
- print("analyze model-bulk", model_name, bulk_struct_test)
- analyze_phonons(model_data)
-
- if ref_model_data is not None and 'DOS' in ref_model_data:
- ax_DOS.plot(ref_model_data['DOS']['freq'], ref_model_data['DOS']['val'], ":", color='C{}'.format(bulk_i), label=ref_model_name)
- if 'DOS' in model_data:
- ax_DOS.plot(model_data['DOS']['freq'], model_data['DOS']['val'], "-", color='C{}'.format(bulk_i), label=bulk_struct_test)
- ax_DOS.set_xlabel("freq (cm$^{-1}$)")
- ax_DOS.set_ylabel("DOS (arb. units)")
- ylim = ax_DOS.get_ylim()
- ax_DOS.set_ylim(0.0, ylim[1])
- ax_DOS.legend()
-
- if ref_model_data is not None and 'BAND_PATH' in ref_model_data:
- for i in range(ref_model_data['BAND_PATH']['frequencies'].shape[1]):
- ax_BP.plot(ref_model_data['BAND_PATH']['positions'], ref_model_data['BAND_PATH']['frequencies'][:,i], ":", color='C{}'.format(bulk_i),
- label=ref_model_name if i == 0 else None)
- if 'BAND_PATH' in model_data:
- for i in range(model_data['BAND_PATH']['frequencies'].shape[1]):
- ax_BP.plot(model_data['BAND_PATH']['positions'], model_data['BAND_PATH']['frequencies'][:,i], "-", color='C{}'.format(bulk_i),
- label=model_name if i == 0 else None)
- f = open("phonons_BAND_PATH-"+model_name+"-"+bulk_struct_test+".dat", "w")
- f.write(str(model_data['BAND_PATH']['positions']))
- f.write("\n")
- f.write(str(model_data['BAND_PATH']['frequencies'][:,:]))
- f.write("\n")
- f.close()
-
- if bulk_i == len(bulk_struct_tests)-1:
- ax_BP.set_xlabel("BZ point")
- ax_BP.set_ylabel("freq. (cm$^{-1}$)")
- ax_BP.set_xticks([p for p,l in zip(model_data['BAND_PATH']['positions'], model_data['BAND_PATH']['labels']) if l != '.'])
- ax_BP.set_xticklabels([l for l in model_data['BAND_PATH']['labels'] if l != '.'])
- ax_BP.set_xlim(model_data['BAND_PATH']['positions'][0],model_data['BAND_PATH']['positions'][-1])
- ylim = ax_BP.get_ylim()
- for p, l in zip(model_data['BAND_PATH']['positions'][1:-1], model_data['BAND_PATH']['labels'][1:-1]):
- if l != '.':
- ax_BP.plot([p,p],ylim, '-', color='black', label=None)
- ax_BP.set_ylim(ylim)
- ax_BP.legend(loc='upper right')
- ax_BP.axhline(color='black', linewidth=0.5)
-
- ax_BP.set_title(bulk_struct_test)
- fig_BP.savefig("phonons_BAND_PATH-"+model_name+"-"+bulk_struct_test+".pdf")
-
-fig_DOS.savefig("phonons_DOS-"+model_name+".pdf")
-pyplot.clf()
-
-print("")
diff --git a/scripts/analyze_point_defects.py b/scripts/analyze_point_defects.py
deleted file mode 100755
index 00afbb9fc..000000000
--- a/scripts/analyze_point_defects.py
+++ /dev/null
@@ -1,99 +0,0 @@
-#!/usr/bin/env python
-
-from analyze_utils import *
-
-(args, models, tests, default_analysis_settings) = analyze_start(['point_defect_*'])
-
-try:
- (mcc_compositions, mcc_energies) = get_multicomponent_constraints(args.test_set, models, default_analysis_settings["multicomponent_constraints"])
-except:
- (mcc_compositions, mcc_energies) = (None, None)
-
-# print("multicomponent_constraints_data ", multicomponent_constraints_data)
-
-from multicomponent_mu_range import mu_range
-
-# read and parse all data
-data = read_properties(models, tests, args.test_set)
-
-n_fig = 0
-defect_table_data = {}
-for model_name in models:
- table_entry = []
- for test_name in tests:
- print("DO {} {}".format(model_name, test_name))
-
- try:
- (cur_min_EV, cur_composition) = read_ref_bulk_model_struct(args.test_set, model_name,
- data[model_name][test_name]["bulk_struct_test"])
- except:
- print("No data")
- continue
- try:
- (stable_mu_extrema, full_mu_range) = mu_range(cur_min_EV, cur_composition, data[model_name][test_name]["bulk_struct_test"],
- mcc_compositions, mcc_energies[model_name])
- except:
- (stable_mu_extrema, full_mu_range) = (None,None)
- # print(model_name, test_name, "stable_mu_extrema", stable_mu_extrema)
- # print("full_mu_range", full_mu_range)
- if stable_mu_extrema is not None:
- if len(stable_mu_extrema) > 0:
- print("stable mu range:")
- for pt in stable_mu_extrema:
- for Z in sorted(pt.keys()):
- print(" mu_{} = {} ".format(Z, pt[Z]),end='')
- print("")
- else:
- print("stable mu range: None")
-
- for defect_label in data[model_name][test_name]["defects"]:
- # print("defect label",defect_label)
- defect = data[model_name][test_name]["defects"][defect_label]
-
- ind = defect_label
- Z = defect.get('Z', None)
- Ef = defect['Ef']
- Ef0 = defect['Ef0']
- # the following should probably be refactored, to make a more general routine
- # to determine formation energy of non-stoichiometric defects
- if 'dmu' in defect:
- n_Z = defect['dmu'][0]
- mu_Z = defect['dmu'][1]
- if stable_mu_extrema is None or len(stable_mu_extrema) == 0:
- print(f'DEFECT {model_name}, {test_name}, {ind}, {Z}, (Ef0 = {Ef0:.4f} Ef = {Ef:.4f}) but no stable mu range exists')
- else:
- mu_min = min([ mu_pt[mu_Z] for mu_pt in stable_mu_extrema] )
- mu_max = max([ mu_pt[mu_Z] for mu_pt in stable_mu_extrema] )
- print("DEFECT", model_name, test_name, "label", ind, "Z", Z)
- l1 = f'{Ef0:.4f} + (n_{mu_Z} = {n_Z})*(mu_{mu_Z} = [ {mu_min:.4f} -- {mu_max:.4f} ] ) = [ {Ef0+n_Z*mu_min:.4f} -- {Ef0+n_Z*mu_max:.4f} ]'
- print("DEFECT", model_name, test_name, "Ef0", l1)
- l2 = f'{Ef:.4f} + (n_{mu_Z} = {n_Z})*(mu_{mu_Z} = [ {mu_min:.4f} -- {mu_max:.4f} ] ) = [ {Ef+n_Z*mu_min:.4f} -- {Ef+n_Z*mu_max:.4f} ]'
- print("DEFECT", model_name, test_name, "Ef", l2)
- table_entry.append((test_name, ind, Z, l1, l2))
- else:
- l1 = f'{Ef0:.4f}'
- l2 = f'{Ef:.4f}'
- print("DEFECT", model_name, test_name, "atom",ind, "Z", Z, "Ef0", l1, "Ef", l2)
- table_entry.append((test_name, ind, Z, l1, l2))
-
- for (test_name, ind, Z, Ef0, Ef) in table_entry:
- l = test_name+" "+str(Z)+" "+str(ind)
- if l not in defect_table_data:
- defect_table_data[l] = {}
- defect_table_data[l][model_name] = (Ef0,Ef)
-
- print("")
-
-defects_sorted = sorted(defect_table_data.keys())
-defects_sorted_print = [ n.replace("point_defect_","").replace("_"," ") for n in defects_sorted ]
-print("\\begin{tabular}{ l & " + " & ".join(["c"]*2*len(defects_sorted)) + " }")
-print("model & "+" & ".join( [ "\\multicolumn{{2}}{{c}}{{{}}}".format(n) for n in defects_sorted_print ]) + "\\\\")
-print(" & "+" & ".join( [" E$_f^0$ & E$_f$ "]*len(defects_sorted) ),end='')
-for model_name in models:
- print("\\\\\n"+model_name.replace("_","\\_"),end='')
- for d in defects_sorted:
- if model_name in defect_table_data[l]:
- print(" & " + "{}".format(defect_table_data[d][model_name][0])+" & "+"{}".format(defect_table_data[d][model_name][1]),end='')
- else:
- print(" & & ",end='')
-print("\n\\end{tabular}")
diff --git a/scripts/analyze_qha.py b/scripts/analyze_qha.py
deleted file mode 100644
index 473fb2f55..000000000
--- a/scripts/analyze_qha.py
+++ /dev/null
@@ -1,46 +0,0 @@
-#!/usr/bin/env python
-
-from analyze_utils import *
-import numpy as np
-from ase.units import _k
-import matplotlib.pyplot as plt
-
-(args, models, tests, default_analysis_settings) = analyze_start('qha_diamond')
-
-try:
- (mcc_compositions, mcc_energies) = get_multicomponent_constraints(args.test_set, models, default_analysis_settings["multicomponent_constraints"])
-except:
- (mcc_compositions, mcc_energies) = (None, None)
-
-# print("multicomponent_constraints_data ", multicomponent_constraints_data)
-
-from multicomponent_mu_range import mu_range
-
-ref_linestyles=[ "-", "--" ]
-other_linestyles=[ ":", "-." ]
-struct_colors = [ "black", "red", "blue", "orange", "green", "brown", "grey", "magenta","cyan" ]
-ref_model_name = default_analysis_settings["ref_model"]
-
-# read and parse all data
-qha_data = read_properties(models, tests, args.test_set)
-
-fig, axs = plt.subplots(3,1, sharex=False, sharey=False,figsize=(6.6,9.9))
-
-axs[0].plot(qha_data[ref_model_name]['qha_diamond']['qha_temperature'], qha_data[ref_model_name]['qha_diamond']['qha_heat_capacity'], label=ref_model_name, linestyle=ref_linestyles[0], color="black")
-axs[1].plot(qha_data[ref_model_name]['qha_diamond']['qha_temperature'], qha_data[ref_model_name]['qha_diamond']['qha_gruneisen'], label=ref_model_name, linestyle=ref_linestyles[0], color="black")
-axs[2].plot(qha_data[ref_model_name]['qha_diamond']['qha_temperature'], qha_data[ref_model_name]['qha_diamond']['qha_thermal_expansion'], label=ref_model_name, linestyle=ref_linestyles[0], color="black")
-
-i = 0
-for model in sorted(qha_data.keys()):
- if bool(qha_data[model]) is True and model != ref_model_name:
- i += 1
- axs[0].plot(qha_data[model]['qha_diamond']['qha_temperature'], qha_data[model]['qha_diamond']['qha_heat_capacity'], label=model, color=struct_colors[i])
- axs[1].plot(qha_data[model]['qha_diamond']['qha_temperature'], qha_data[model]['qha_diamond']['qha_gruneisen'], label=model, color=struct_colors[i])
- axs[2].plot(qha_data[model]['qha_diamond']['qha_temperature'], qha_data[model]['qha_diamond']['qha_thermal_expansion'], label=model, color=struct_colors[i])
-
-axs[0].set_ylabel("Heat Capacity [kb]")
-axs[1].set_ylabel("Gruneisen Parameter")
-axs[2].set_ylabel("Thermal Expansion [1E-6/K]")
-axs[2].set_xlabel("Temperature [K]")
-plt.legend()
-plt.savefig("./qha.pdf")
diff --git a/scripts/run-all.py b/scripts/run-all.py
deleted file mode 100755
index b2393cb46..000000000
--- a/scripts/run-all.py
+++ /dev/null
@@ -1,156 +0,0 @@
-#!/usr/bin/env python
-
-import os
-import sys
-import subprocess
-import glob
-import re
-import json
-import argparse
-import itertools
-import shlex
-
-my_path=os.path.dirname(os.path.realpath(__file__))
-
-parser = argparse.ArgumentParser(description='Run all tests on all models. Default command line options in dict of lists in "default_run_opts.json", keys are "global" or regexps matching model names')
-parser.add_argument('--test_set', '-s', nargs='+', help='label(s) for tests directories', required=True)
-parser.add_argument('--models', '-m', action='store', nargs='+', type=str, help='models to include')
-parser.add_argument('--tests', '-t', action='store', nargs='+', type=str, help='tests to include')
-parser.add_argument('--omit-tests', '-o', action='store', nargs='+', type=str, help='tests to omit')
-parser.add_argument('--force', '-f', action='store_true', help='force rerunning of tests')
-parser.add_argument('--bugs', '-b', action='store_true', help='use bugs to generate job scripts')
-parser.add_argument('--bugs_np', '-n', help='override number of processor when using bugs')
-parser.add_argument('--bugs_host', '-H', help='host to force bugs to use',
- default=re.sub('[0-9]*$', '', os.environ.get('HOSTNAME', 'None.FQDN').split('.')[0]))
-parser.add_argument('--MPI', '-M', action='store_true', help='use MPI')
-parser.add_argument('--OpenMP', '-O', action='store_true', help='use OpenMP')
-parser.add_argument('--base_model', '-B', action='store', type=str, help='model to use as initial config for tests where it is enabled')
-parser.add_argument('--models_path', '-MP', action='store', type=str, help='path to models directory', default=os.path.join(os.getcwd(),'../models'))
-parser.add_argument('--tests_path', '-TP', action='store', type=str, help='path to tests directory (above test_set)', default=os.path.join(my_path,'../tests'))
-parser.add_argument('--n_procs', '-N', action='store', type=int, help='number of processors to round to', default=16)
-
-global_default_run_opts = []
-default_run_opts = []
-if os.path.exists("default_run_opts.json"):
- with open("default_run_opts.json","r") as f:
- default_run_opts = json.load(f)
-
- if "global" in default_run_opts:
- global_default_run_opts = default_run_opts["global"]
-
-args = parser.parse_args(sys.argv[1:] + global_default_run_opts)
-
-
-models = None
-tests = None
-if args.models is not None:
- print("Models asked for: ", args.models)
- models = list(itertools.chain.from_iterable([ glob.glob(os.path.join(args.models_path, d, 'model.py')) for d in args.models ]))
-else:
- models = glob.glob(os.path.join(args.models_path, '*', 'model.py'))
-print("Models path: ", args.models_path)
-print("Models found: ", models)
-models = [ os.path.split(d)[0] for d in models ]
-
-def clean_path(p):
- if p.startswith(os.environ['HOME']):
- p_home = '"$HOME"'
- p_rest = p.replace(os.environ['HOME'], '')
- else:
- p_home = ''
- p_rest = p
- return p_home+shlex.quote(p_rest)
-
-tests = []
-for test_set in args.test_set:
- tests_path = os.path.join(args.tests_path,test_set)
-
- if args.tests is not None:
- tests_t = list(itertools.chain.from_iterable([ glob.glob(os.path.join(tests_path, d, 'test.py')) for d in args.tests ]))
- else:
- tests_t = glob.glob(os.path.join(tests_path, '*', 'test.py'))
- tests_t = [ os.path.split(t)[0] for t in tests_t ]
- if args.omit_tests is not None:
- for omit_test in list(itertools.chain.from_iterable([ glob.glob(os.path.join(tests_path, d)) for d in args.omit_tests ])):
- if omit_test in tests_t:
- tests_t.remove(omit_test)
- else:
- sys.stderr.write("WARNING: omitted test %s not in list of tests\n" % omit_test)
- tests.extend([(test, test_set) for test in tests_t])
-
-force = args.force
-bugs = args.bugs
-
-run_model_test = os.path.join(my_path,'run-model-test.py')
-
-print('Models:', models)
-print('Tests:', tests)
-
-for model in models:
- model_name = os.path.split(model)[-1]
-
- model_default_run_opts = []
- if default_run_opts is not None:
- for m in default_run_opts:
- if re.search(m, model_name) is not None:
- model_default_run_opts = default_run_opts[m]
- break
-
- args = parser.parse_args(sys.argv[1:] + model_default_run_opts + global_default_run_opts)
-
- for test, test_set in tests:
- test_name = os.path.split(test)[-1]
- try:
- fp = open(model+"/COMPUTATIONAL_COST")
- model_cost = float(fp.readline().strip())
- except:
- model_cost = 1.0
- try:
- fp = open(test+"/COMPUTATIONAL_COST")
- test_cost = float(fp.readline().strip())
- except:
- test_cost = 1.0
-
- if args.bugs_np is None:
- np=int(round(int(test_cost*model_cost*args.n_procs)/float(args.n_procs)))*args.n_procs
- if np < args.n_procs:
- np = args.n_procs
- else:
- np = args.bugs_np
-
- if args.bugs:
- # only clean for bugs, which will feed path into shell
- cmd_args = [ clean_path(run_model_test), clean_path(os.path.join(args.models_path,model_name)),
- clean_path(test) ]
- else:
- cmd_args = [ run_model_test, os.path.join(args.models_path,model_name), test ]
- cmd_args += [ '--system_label', test_set ]
-
- if force:
- cmd_args += [ '-force' ]
- if args.base_model is not None:
- cmd_args += [ '--base_model', args.base_model ]
-
- if args.bugs:
- ident_string= '{0}_{1}_{2}'.format(test_set, model_name, test_name)
- cmd = ['bugs', '-exec=python' ]
- if args.MPI:
- bugs_script='test.bugs_script_mpi'
- else:
- cmd += ['-no_mpirun']
- bugs_script='test.bugs_script'
- if args.OpenMP:
- bugs_script+='_openmp'
- bugs_script += '.'+args.bugs_host
- cmd += [ '-time=96h', f'-np={np}', f'-script={bugs_script}', f'-host={args.bugs_host}', f'-name={ident_string}',
- f'-fileroot={ident_string}', '-in_cwd', f'-output=job.{ident_string}' ]
-
- cmd_env = os.environ.copy()
- cmd_env['REDIRECT_IO'] = ' '.join(cmd_args)
- else:
- cmd = ['python'] + cmd_args
- cmd_env = None
- print(cmd)
- # TODO: convert this to using subprocess.run()
- subprocess.run(cmd, env=cmd_env)
-
diff --git a/scripts/run-model-test.py b/scripts/run-model-test.py
deleted file mode 100755
index 3fcdb8126..000000000
--- a/scripts/run-model-test.py
+++ /dev/null
@@ -1,162 +0,0 @@
-#!/usr/bin/env python
-
-from __future__ import print_function
-
-
-import os
-import sys
-import datetime
-import json
-import time
-import argparse
-
-if 'USE_MPI' in os.environ:
- import mpi4py
- from quippy.mpi_context import MPI_context
- do_io = (mpi4py.MPI.COMM_WORLD.Get_rank() == 0)
- print("rank ",mpi4py.MPI.COMM_WORLD.Get_rank(), "io", do_io)
-else:
- do_io = True
-
-try:
- from ase.calculators.checkpoint import CheckpointCalculator
-except:
- pass
-
-#import logging
-#logging.basicConfig(stream=sys.stdout, level=logging.INFO)
-#logger = logging.getLogger('ase.optimize.precon')
-#logger.propagate = True
-#logger.setLevel(logging.DEBUG)
-
-
-parser = argparse.ArgumentParser(description='Run a particular model-test combination')
-parser.add_argument('model', type=str, action='store', help='model name')
-parser.add_argument('test', type=str, action='store', help='test name')
-parser.add_argument('--system_label','-l', type=str, action='store', help='label for tests directory', default='')
-parser.add_argument('--force','-f', action='store_true', help='force rerunning of test')
-parser.add_argument('--base_model','-B', type=str, action='store', help='optional base model to start from')
-parser.add_argument('--no_redirect_io','-N', action='store_true', help='do not redirect io')
-parser.add_argument('--no_append_log', dest='append_log', action='store_false', help='overwrite log (.txt) file, rather than appending')
-args = parser.parse_args()
-
-model_path = os.path.split(args.model)[0]
-if len(model_path) == 0:
- model_path = os.path.join("..","..","models")
-model_name = os.path.split(args.model)[1]
-
-test_path = os.path.split(args.test)[0]
-if len(test_path) == 0:
- test_path = os.path.join("..","..","tests")
-test_name = os.path.split(args.test)[1]
-
-force = args.force
-
-my_path = os.path.split(os.path.realpath(__file__))[0]
-# read utilities from current relative path
-share_dir = os.path.join(my_path, '..', 'share')
-print("share_dir",share_dir)
-sys.path.insert(0, share_dir)
-import utilities
-## # remove this path, since later relative path will be different
-## sys.path.remove(share_dir)
-
-# set quantities to be available to utilities routines
-utilities.model_name = model_name
-utilities.base_model_name = args.base_model
-utilities.test_name = test_name
-utilities.system_label = args.system_label
-
-run_root = utilities.model_test_root()
-dir_name = "run_"+run_root # maybe a different name?
-if not os.path.exists(dir_name) and do_io:
- os.mkdir(dir_name)
-time.sleep(1)
-os.chdir(dir_name)
-
-utilities.run_root = run_root
-utilities.base_run_root = utilities.model_test_root(base_model=True)
-
-json_file_name = os.path.join('..', run_root+'-properties.json')
-if not force and os.path.isfile(json_file_name) and os.path.getsize(json_file_name) > 0:
- print("%s already exists and is not empty, not rerunning test" % json_file_name)
- sys.exit(0)
-
-model_dir = os.path.join(model_path, model_name)
-test_dir = os.path.join(test_path, test_name)
-
-## sys.path.insert(0, share_dir)
-sys.path.insert(0, model_dir)
-sys.path.insert(0, test_dir)
-
-if not args.no_redirect_io:
- _stdout, _stderr = sys.stdout, sys.stderr
- if do_io:
- if args.append_log:
- log = open(os.path.join('..',run_root+'.txt'), 'a', 1)
- else:
- log = open(os.path.join('..',run_root+'.txt'), 'w', 1)
- sys.stdout, sys.stderr = log, log
- else:
- sys.stdout = open(os.devnull, "w")
- sys.stderr = open(os.devnull, "w")
-sys.stdout.write('\n###### START RUN '+time.ctime()+' ######\n')
-
-import logging
-logging.basicConfig(stream=sys.stdout, level=logging.INFO)
-logger = logging.getLogger('ase.optimize.precon')
-logger.propagate = True
-logger.setLevel(logging.INFO)
-
-print('Model {0}, Test {1}'.format(model_name, test_name))
-print('Test run at {0}'.format(datetime.datetime.now().strftime("%Y-%m-%d %H:%M")))
-print('')
-
-model_file = os.path.join(model_dir, 'model.py')
-print('model file:',model_file)
-print('='*60)
-sys.stdout.write(open(model_file).read())
-print('='*60)
-
-test_file = os.path.join(test_dir, 'test.py')
-print('test file:', test_file)
-print('='*60)
-sys.stdout.write(open(test_file).read())
-print('='*60)
-
-import model # import and run the current model
-
-# adapt model to test, e.g. to set output directory name
-if hasattr(model, 'start'):
- model.start(test_name)
-
-# create a checkpoint file for this specific (model, test) combination
-if ('GAP_TESTER_CHECKPOINT' in os.environ and os.environ['GAP_TESTER_CHECKPOINT'] != "") or not hasattr(model, 'no_checkpoint') or not model.no_checkpoint:
- checkpoint_file = run_root+'.db'
- print('Using checkpoint file',checkpoint_file)
- model.calculator = CheckpointCalculator(model.calculator, db=checkpoint_file)
-
-import test # import and run the current test
-
-print('='*60)
-print('Property calculation output:')
-print('')
-
-# serialise results in machine readable JSON format
-json_file = open(json_file_name, 'w')
-json.dump(test.properties, json_file)
-json_file.close()
-
-print('')
-print('Summary of computed properties:')
-print(test.properties)
-
-print('='*60)
-
-if not args.no_redirect_io:
- sys.stdout, sys.stderr = _stdout, _stderr
- if do_io:
- log.close()
-
-if hasattr(model, 'shutdown'):
- model.shutdown()
diff --git a/setup.py b/setup.py
new file mode 100644
index 000000000..0025b9ae0
--- /dev/null
+++ b/setup.py
@@ -0,0 +1,24 @@
+from setuptools import setup, find_packages
+
+PACKAGENAME = "testingframework"
+DESCRIPTION = "Module for testing various interatomic potentials"
+AUTHOR = "Libatoms"
+AUTHOR_EMAIL = ""
+
+version = {}
+with open("version.py") as fp:
+ exec(fp.read(), version)
+
+setup(
+ name=PACKAGENAME,
+ packages=find_packages(),
+ version=version["__version__"],
+ description=DESCRIPTION,
+ long_description=open("README.md").read(),
+ install_requires=["scipy", "numpy", "matplotlib", "pandas>=0.21.0", "scipy",],
+ setup_requires=["pytest-runner",],
+ tests_require=["pytest",],
+ author=AUTHOR,
+ author_email=AUTHOR_EMAIL,
+ package_data={"": ["data/*", "calib/data/*"],},
+)
diff --git a/share/RSS.py b/share/RSS.py
deleted file mode 100644
index c142f8aa8..000000000
--- a/share/RSS.py
+++ /dev/null
@@ -1,24 +0,0 @@
-import ase.io
-from utilities import robust_minim_cell_pos
-
-def do_RSS(initial_configs_file, index=':', tol=0.01):
- import model
-
- ats = ase.io.read(initial_configs_file, index)
- range_slice_args = [ None if i == '' else int(i) for i in index.split(':')]
-
- print("got index ", index, "range_slice_args",range_slice_args)
- print("using i_config",range(len(ats))[slice(*range_slice_args)])
-
- energies = []
- volumes = []
- for (i_config, at) in zip(range(len(ats))[slice(*range_slice_args)], ats):
- robust_minim_cell_pos(at, tol, "RSS_%04d" % i_config)
- print("RSS completed minimization")
- if hasattr(model, "fix_cell_dependence"):
- model.fix_cell_dependence()
- energies.append(at.get_potential_energy()/len(at))
- volumes.append(at.get_volume()/len(at))
- ase.io.write("RSS_relaxed_%04d.extxyz" % i_config, at)
-
- return { 'energies' : energies, 'volumes' : volumes }
diff --git a/share/interstitial.py b/share/interstitial.py
deleted file mode 100644
index df7202456..000000000
--- a/share/interstitial.py
+++ /dev/null
@@ -1,145 +0,0 @@
-import ase.io, os.path
-from ase import Atoms
-from utilities import relax_config, run_root, rescale_to_relaxed_bulk, evaluate
-from ase.neighborlist import NeighborList
-from ase.constraints import FixedPlane
-import numpy as np
-
-from find_voids import find_voids
-
-def do_one_interstitial(bulk_supercell, bulk_supercell_pe, interstitial_Z, interstitial_pos, label, relax_radial=0.0, relax_symm_break=0.0, nn_cutoff=0.0, tol=1.0e-2):
-
- interst = bulk_supercell.copy()
- interst += Atoms(numbers=[interstitial_Z], positions=[interstitial_pos])
- interstitial_i = len(interst)-1
-
- if relax_radial != 0.0 or relax_symm_break != 0.0:
- nl = NeighborList([nn_cutoff/2.0]*len(bulk_supercell), self_interaction=False, bothways=True)
- nl.update(bulk_supercell)
- indices, offsets = nl.get_neighbors(interstitial_i)
- offset_factor = relax_radial
- for i, offset in zip(indices, offsets):
- ri = interst.positions[interstitial_i] - (interst.positions[i] + np.dot(offset, interst.get_cell()))
- interst.positions[i] += offset_factor*ri
- offset_factor += relax_symm_break
-
- if "interstitial_constraint" in bulk_supercell.info:
- (constr_type, constr_subtype) = bulk_supercell.info["interstitial_constraint"].split()[0:2]
-
- if constr_type == "plane":
- if constr_subtype == "atoms":
- indices = [int(i) for i in bulk_supercell.info["interstitial_constraint"].split()[2:]]
- if len(indices) != 3:
- raise ValueError("number of indices not 3 for plane atoms '{}'".format(bulk_supercell.info["interstitial_constraint"]))
- p = interst.get_positions()
- constr_normal = np.cross(p[indices[0]]-p[indices[1]],p[indices[0]]-p[indices[2]])
- elif constr_subtype == "vector":
- constr_normal = np.array(bulk_supercell.info["interstitial_constraint"].split()[2:])
- else:
- raise ValueError("unknown interstitial constraint subtype for plane '{}'".format(bulk_supercell.info["interstitial_constraint"]))
-
- print("setting constraint FixedPlane with normal", constr_normal)
- interst.set_constraint(FixedPlane(interstitial_i, constr_normal))
- else:
- raise ValueError("unknown interstitial constraint type '{}'".format(bulk_supercell.info["interstitial_constraint"]))
-
- evaluate(interst)
- unrelaxed_interstitial_pe = interst.get_potential_energy()
-
- if len(set(bulk_supercell.get_atomic_numbers())) == 1:
- Ebulk = float(len(interst))/float(len(bulk_supercell)) * bulk_supercell_pe
- else:
- Ebulk = bulk_supercell_pe
- Ef0 = unrelaxed_interstitial_pe - Ebulk
-
- unrelaxed_filename=run_root+"-%s-unrelaxed.xyz" % label
- ase.io.write(os.path.join("..",unrelaxed_filename), interst, format='extxyz')
-
- print("got unrelaxed interstitial {} cell energy".format(label), unrelaxed_interstitial_pe)
-
- try:
- interst = relax_config(interst, relax_pos=True, relax_cell=False, tol=tol, save_traj=True,
- config_label=label, from_base_model=True, save_config=True, try_restart=True)
-
- relaxed_filename=run_root+"-%s-relaxed.xyz" % label
- ase.io.write(os.path.join("..",relaxed_filename), interst, format='extxyz')
-
- interstitial_pe = interst.get_potential_energy()
- Ef = interstitial_pe - Ebulk
-
- print("got relaxed interstitial {} cell energy".format(label), interstitial_pe)
- except:
- relaxed_filename = None
- Ef = None
-
- print("got bulk energy", Ebulk)
- return ( unrelaxed_filename, Ef0, relaxed_filename, Ef, interstitial_i)
-
-
-def do_all_interstitials(test_dir, nn_cutoff=0.0, tol=1.0e-2):
- print("doing do_all_interstitials")
- bulk_supercell = ase.io.read(os.path.join(test_dir,"bulk_supercell.xyz"), format="extxyz")
- print("got bulk_supercell ", len(bulk_supercell))
-
- bulk = rescale_to_relaxed_bulk(bulk_supercell)
- # relax bulk supercell positions in case it's only approximate (as it must be for different models), but stick
- # to relaxed bulk's lattice constants as set by rescale_to_relaxed_bulk
- bulk_supercell = relax_config(bulk_supercell, relax_pos=True, relax_cell=False, tol=tol, save_traj=True,
- config_label="relaxed_bulk", from_base_model=True, save_config=True)
-
- ase.io.write(os.path.join("..",run_root+"-rescaled-bulk.xyz"), bulk_supercell, format='extxyz')
-
- print("got bulk primitive cell ", bulk.get_cell())
- print("got rescaled bulk_supercell cell ", bulk_supercell.get_cell())
-
- try: # Cartesian 3-vector
- interstitial_pos_l = [ np.array([float(x) for x in bulk_supercell.info["interstitials"]]) ]
- if len(interstitial_pos_l) != 3:
- raise ValueError("not a 3-vector")
- except:
- interstitial_pos_type = bulk_supercell.info["interstitials"].split()[0]
- if interstitial_pos_type == "mean":
- neighbor_indices = [int(i) for i in bulk_supercell.info["interstitials"].split()[1:]]
- if len(neighbor_indices) < 2:
- raise ValueError("interstitial position type mean, but {} < 2 indices".format(len(neighbor_indices)))
- interstitial_pos_l = [ np.sum(bulk_supercell.get_positions()[neighbor_indices],axis=0) / float(len(neighbor_indices)) ]
- elif interstitial_pos_type == "inequivalent":
- if 'arb_supercell' in bulk_supercell.info:
- print("making bulk supercell from", bulk_supercell.info['arb_supercell'].reshape((3,3)) )
- bulk_supersupercell = ase.build.make_supercell(bulk_supercell, bulk_supercell.info['arb_supercell'].reshape((3,3)) )
- print("got supersupercell with ",len(bulk_supersupercell),"atoms, cell\n",bulk_supersupercell.get_cell())
- voids = find_voids(bulk_supercell)
- interstitial_pos_l = [ (v[1], v[2], v[3]) for v in voids ]
-
- bulk_supersupercell.info.update(bulk_supercell.info)
- bulk_supercell = bulk_supersupercell
- else:
- raise ValueError("Unknown interstitial position type in '"+bulk_supercell.info["interstitials"]+"'")
-
- evaluate(bulk_supercell)
- bulk_supercell_pe = bulk_supercell.get_potential_energy()
- properties = { "bulk_struct_test" : bulk_supercell.info["bulk_struct_test"], "bulk_E_per_atom" : bulk_supercell_pe / len(bulk_supercell), "defects" : {} }
-
- Z_list = ( [ bulk_supercell.info["Zs"] ] if isinstance(bulk_supercell.info["Zs"], (int, np.integer))
- else bulk_supercell.info["Zs"] )
-
- for interstitial_Z in Z_list:
- try:
- relax_radial = bulk_supercell.info['relax_radial_{}'.format(interstitial_Z)]
- except:
- relax_radial = 0.0
- try:
- relax_symm_break = bulk_supercell.info['relax_symm_break_{}'.format(interstitial_Z)]
- except:
- relax_symm_break = 0.0
-
- for interst_i, interst_pos in enumerate(interstitial_pos_l):
- label = f'Z_{interstitial_Z}_pos_{interst_i}'
- (unrelaxed_filename, Ef0, relaxed_filename, Ef, interstitial_i) = do_one_interstitial(bulk_supercell, bulk_supercell_pe,
- interstitial_Z, interst_pos, label, relax_radial, relax_symm_break, nn_cutoff, tol)
-
- properties["defects"][label] = { 'Ef0' : Ef0, 'Ef' : Ef, 'unrelaxed_filename' : unrelaxed_filename, 'relaxed_filename' : relaxed_filename, 'atom_ind' : int(interstitial_i), 'Z' : int(interstitial_Z), 'pos_index' : interst_i }
- if len(set(bulk_supercell.get_atomic_numbers())) != 1:
- properties["defects"][label]['dmu'] = [-1, int(interstitial_Z)]
-
- return properties
diff --git a/share/lattice.py b/share/lattice.py
deleted file mode 100644
index 802b9d24b..000000000
--- a/share/lattice.py
+++ /dev/null
@@ -1,172 +0,0 @@
-import numpy as np
-from utilities import relax_config, run_root
-import ase.io, sys, os.path
-from ase.optimize.precon import PreconLBFGS
-import matscipy.elasticity
-from ase.units import GPa
-# Calculate B for Hexagonal, Tetragonal & Trigonal
-# DOI: 10.1103/PhysRevB.77.104118 Eq. (29)
-def HTT_B(c11, c33, c12, c13):
- numerator = c33 * (c11 + c12) - 2*c13**2
- denominator = c11 + c12 + 2*c33 - 4*c13
-
- return numerator / denominator
-
-# Mater Trans v 53 p 1247 (2012), Eq. 4-10
-def VRH_B(c11, c33, c12, c13, c44, c66):
- Bv = (1.0/9.0)*(2.0*(c11+c12) + c33 + 4.0*c13)
-
- M = c11 + c12 + 2.0*c33 - 4.0*c13
- Csq = (c11+c12)*c33 - 2.0*c13**2
- Br = Csq/M
-
- return (Bv+Br)/2.0
-
-def calc_E_vs_V(bulk, dV=0.025, n_steps=(-10,10), tol=1e-2, method='lbfgs'): # hack tol to deal with Te C2/m
- import model
-
- V0 = bulk.get_volume()
- dV *= V0
- E_vs_V=[]
-
- scaled_bulk = bulk.copy()
- for i in range(0, n_steps[0]-1, -1):
- V_cur = scaled_bulk.get_volume()
- scaled_bulk.set_cell(scaled_bulk.get_cell()*((V0+i*dV)/V_cur)**(1.0/3.0), scale_atoms=True)
- ase.io.write(sys.stdout, scaled_bulk, format='extxyz')
- print("trying to relax i",i)
- try:
- if hasattr(model, "fix_cell_dependence"):
- model.fix_cell_dependence(scaled_bulk)
- ase.io.write(run_root+"-E_vs_V_%03d-unrelaxed.xyz" % i, scaled_bulk, format='extxyz')
- scaled_bulk = relax_config(scaled_bulk, relax_pos=True, relax_cell=True, tol=tol, max_steps=200, save_traj=True, constant_volume=True, method=method,
- refine_symmetry_tol=1.0e-1, keep_symmetry=True, config_label="E_vs_V_%03d" % i, from_base_model=True, save_config=True)
- except Exception as e:
- print("WARNING: failed config in calc_E_vs_V", str(e))
- sys.exit(1) #### NB
- break
- ase.io.write(sys.stdout, scaled_bulk, format='extxyz')
- E_vs_V.insert(0, (scaled_bulk.get_volume()/len(scaled_bulk), scaled_bulk.get_potential_energy()/len(bulk), list(scaled_bulk.get_stress())) )
-
- scaled_bulk = bulk.copy()
- for i in range(1,n_steps[1]+1):
- V_cur = scaled_bulk.get_volume()
- scaled_bulk.set_cell(scaled_bulk.get_cell()*((V0+i*dV)/V_cur)**(1.0/3.0), scale_atoms=True)
- ase.io.write(sys.stdout, scaled_bulk, format='extxyz')
- print("trying to relax i",i)
- try:
- if hasattr(model, "fix_cell_dependence"):
- model.fix_cell_dependence(scaled_bulk)
- ase.io.write(run_root+"-E_vs_V_%02d-unrelaxed.xyz" % i, scaled_bulk, format='extxyz')
- scaled_bulk = relax_config(scaled_bulk, relax_pos=True, relax_cell=True, tol=tol, max_steps=200, save_traj=True, constant_volume=True, method=method,
- refine_symmetry_tol=1.0e-1, keep_symmetry=True, config_label="E_vs_V_%02d" % i, from_base_model=True, save_config=True)
- except Exception as e:
- print("failed", str(e))
- break
- ase.io.write(sys.stdout, scaled_bulk, format='extxyz')
- E_vs_V.append( (scaled_bulk.get_volume()/len(scaled_bulk), scaled_bulk.get_potential_energy()/len(bulk), list(scaled_bulk.get_stress())) )
-
- if hasattr(model, "fix_cell_dependence"):
- model.fix_cell_dependence()
-
- return E_vs_V
-
-
-def do_lattice(test_dir, lattice_type, dV=0.025, n_steps=(-10,10), tol=1.0e-2, method='lbfgs', applied_P=0.0):
-
- import model
- bulk = ase.io.read(test_dir+"/bulk.xyz", format="extxyz")
-
- results_dict = {}
-
- print("relax bulk")
- # relax the initial unit cell and atomic positions
- (orig_cell, new_cell) = (None, None)
- while new_cell is None or np.max(np.abs(np.dot(np.linalg.inv(new_cell),orig_cell) - np.eye(3))) > 0.05:
- if hasattr(model, "fix_cell_dependence"):
- model.fix_cell_dependence(bulk)
- orig_cell = bulk.get_cell()
- bulk = relax_config(bulk, relax_pos=True, relax_cell=True, tol=tol, save_traj=True, method=method,
- refine_symmetry_tol=1.0e-2, keep_symmetry=True, config_label="bulk", from_base_model=True, save_config=True, applied_P=applied_P)
- new_cell = bulk.get_cell()
- if hasattr(model, "fix_cell_dependence"):
- model.fix_cell_dependence()
- else:
- break
-
- print("final relaxed bulk")
- ase.io.write(sys.stdout, bulk, format='extxyz')
- ase.io.write(os.path.join("..",run_root+"-relaxed.xyz"), bulk, format='extxyz')
-
- print("calculating E vs. V")
- E_vs_V = calc_E_vs_V(bulk, dV=dV, n_steps=n_steps, tol=tol)
- results_dict.update({ 'E_vs_V' : E_vs_V })
-
- print("calculating elastic constants")
-
- if hasattr(model, "fix_cell_dependence"):
- model.fix_cell_dependence(bulk)
-
- opt = lambda atoms, **kwargs: PreconLBFGS(atoms, **kwargs)
- if lattice_type == 'cubic':
- elastic_consts = matscipy.elasticity.fit_elastic_constants(bulk, symmetry='cubic', optimizer=opt, logfile=sys.stdout)
- c11 = elastic_consts[0][0,0]/GPa
- c12 = elastic_consts[0][0,1]/GPa
- c44 = elastic_consts[0][3,3]/GPa
- results_dict.update({'c11' : c11, 'c12': c12, 'c44' : c44, 'B' : (c11+2.0*c12)/3.0})
- elif lattice_type == 'orthorhombic':
- elastic_consts = matscipy.elasticity.fit_elastic_constants(bulk, optimizer=opt, logfile=sys.stdout)
- c11 = elastic_consts[0][0,0]/GPa
- c22 = elastic_consts[0][1,1]/GPa
- c33 = elastic_consts[0][2,2]/GPa
- c12 = elastic_consts[0][0,1]/GPa
- c13 = elastic_consts[0][0,2]/GPa
- c23 = elastic_consts[0][1,2]/GPa
- c44 = elastic_consts[0][3,3]/GPa
- c55 = elastic_consts[0][4,4]/GPa
- c66 = elastic_consts[0][5,5]/GPa
- results_dict.update({'c11' : c11, 'c22' : c22, 'c33' : c33, 'c12': c12, 'c13' : c13, 'c23' : c23,
- 'c44' : c44, 'c55' : c55, 'c66' : c66})
- elif lattice_type == 'tetragonal':
- elastic_consts = matscipy.elasticity.fit_elastic_constants(bulk, symmetry='tetragonal_high', optimizer=opt, logfile=sys.stdout)
- c11 = elastic_consts[0][0,0]/GPa
- c33 = elastic_consts[0][2,2]/GPa
- c12 = elastic_consts[0][0,1]/GPa
- c13 = elastic_consts[0][0,2]/GPa
- c44 = elastic_consts[0][3,3]/GPa
- c66 = elastic_consts[0][5,5]/GPa
- results_dict.update({'c11' : c11, 'c33' : c33, 'c12': c12, 'c13' : c13, 'c44' : c44, 'c66' : c66,
- 'B' : VRH_B(c11, c33, c12, c13, c44, c66)})
- elif lattice_type == 'hexagonal':
- # Need to check if hexagonal structures are truly trigonal_high
- # symmetry=triginal_high not hexagonal until matscipy is debugged
- elastic_consts = matscipy.elasticity.fit_elastic_constants(bulk, symmetry='trigonal_high', optimizer=opt, logfile=sys.stdout)
- c11 = elastic_consts[0][0,0]/GPa
- c33 = elastic_consts[0][2,2]/GPa
- c12 = elastic_consts[0][0,1]/GPa
- c13 = elastic_consts[0][0,2]/GPa
- c44 = elastic_consts[0][3,3]/GPa
- c14 = elastic_consts[0][0,3]/GPa
- c15 = elastic_consts[0][0,4]/GPa
- c25 = elastic_consts[0][1,4]/GPa
- c66 = elastic_consts[0][5,5]/GPa
- results_dict.update({'c11' : c11, 'c33' : c33, 'c12': c12, 'c13' : c13, 'c44' : c44, 'c14' : c14,
- 'c15' : c15, 'c25' : c25, 'c66' : c66, 'B' : HTT_B(c11, c33, c12, c13)})
- elif lattice_type == 'trigonal':
- elastic_consts = matscipy.elasticity.fit_elastic_constants(bulk, symmetry='trigonal_high', optimizer=opt, logfile=sys.stdout)
- c11 = elastic_consts[0][0,0]/GPa
- c33 = elastic_consts[0][2,2]/GPa
- c12 = elastic_consts[0][0,1]/GPa
- c13 = elastic_consts[0][0,2]/GPa
- c44 = elastic_consts[0][3,3]/GPa
- c14 = elastic_consts[0][0,3]/GPa
- c15 = elastic_consts[0][0,4]/GPa
- c25 = elastic_consts[0][1,4]/GPa
- c66 = elastic_consts[0][5,5]/GPa
- results_dict.update({'c11' : c11, 'c33' : c33, 'c12': c12, 'c13' : c13, 'c44' : c44, 'c14' : c14,
- 'c15' : c15, 'c25' : c25, 'c66' : c66, 'B' : HTT_B(c11, c33, c12, c13)})
-
- if hasattr(model, "fix_cell_dependence"):
- model.fix_cell_dependence()
-
- return results_dict
diff --git a/share/surface.py b/share/surface.py
deleted file mode 100644
index e9df5b83e..000000000
--- a/share/surface.py
+++ /dev/null
@@ -1,59 +0,0 @@
-import ase.io, os
-from utilities import relax_config, model_test_root, run_root, rescale_to_relaxed_bulk, evaluate
-import numpy as np
-
-# the current
-import model
-
-def do_symmetric_surface(test_dir, in_plane_supercell=[1,1], pert_pos=0.0):
- assert len(supercell) == 2
-
- surf = ase.io.read(test_dir+"/surface.xyz", format="extxyz")
- surf *= list(in_plane_supercell) + [1]
-
- if pert_pos > 0.0:
- surf.rattle(pert_pos)
-
- bulk = rescale_to_relaxed_bulk(surf)
- bulk_Zs = bulk.get_atomic_numbers()
- evaluate(bulk)
- bulk_cell = bulk.get_cell()
- bulk_E = bulk.get_potential_energy()
-
- try:
- model.reset_config()
- except AttributeError:
- pass
-
- print("got relaxed bulk cell ", bulk_cell)
- print("got rescaled surf cell ", surf.get_cell())
-
- # relax surface system
- tol = 1.0e-2
- surf = relax_config(surf, relax_pos=True, relax_cell=False, tol=tol, save_traj=True,
- config_label="surface", from_base_model=True, save_config=True, try_restart=True)
-
- ase.io.write(os.path.join("..",run_root+"-relaxed.xyz"), surf, format='extxyz')
-
- # check stoichiometry and number of bulk cell energies to subtract
- surf_Zs = surf.get_atomic_numbers()
- Z0 = bulk_Zs[0]
- n_bulk_cells = float(sum(surf_Zs == Z0))/float(sum(bulk_Zs == Z0))
- if len(set(bulk_Zs)) == 1:
- n_dmu = None
- else:
- n_dmu = {}
- for Z in set(bulk_Zs):
- # make sure types are JSON compatible
- n_dmu[int(Z)] = float(n_bulk_cells*sum(bulk_Zs == Z) - sum(surf_Zs == Z))
-
- # calculate surface energy
- area = np.linalg.norm(np.cross(surf.get_cell()[0,:],surf.get_cell()[1,:]))
-
- print("got surface cell potential energy", surf.get_potential_energy())
- print("got bulk potential energy",bulk_E*n_bulk_cells)
- print("got area",area)
-
- return { "bulk_struct_test" : surf.info["bulk_struct_test"],
- "Ef" : (surf.get_potential_energy() - bulk_E*n_bulk_cells)/(2.0*area),
- "dmu" : n_dmu, 'filename' : run_root+"-relaxed.xyz" }
diff --git a/share/vacancy.py b/share/vacancy.py
deleted file mode 100644
index c9d13a05f..000000000
--- a/share/vacancy.py
+++ /dev/null
@@ -1,120 +0,0 @@
-import ase.io, os.path
-from utilities import relax_config, run_root, rescale_to_relaxed_bulk, evaluate
-from ase.neighborlist import NeighborList
-import ase.build
-import numpy as np
-import spglib
-
-def do_one_vacancy(bulk_supercell, bulk_supercell_pe, vac_i, relax_radial=0.0, relax_symm_break=0.0, nn_cutoff=0.0, tol=1.0e-2):
-
- # do unrelaxed (without perturbations)
- vac = bulk_supercell.copy()
- del vac[vac_i]
-
- label = "ind_%d_Z_%d" % (vac_i, bulk_supercell.get_atomic_numbers()[vac_i])
- unrelaxed_filename=run_root+"-%s-unrelaxed.xyz" % label
- ase.io.write(os.path.join("..",unrelaxed_filename), vac, format='extxyz')
- evaluate(vac)
- unrelaxed_vac_pe = vac.get_potential_energy()
-
- # recreate with perturbations for relaxation
- vac = bulk_supercell.copy()
-
- if relax_radial != 0.0 or relax_symm_break != 0.0:
- nl = NeighborList([nn_cutoff/2.0]*len(bulk_supercell), self_interaction=False, bothways=True)
- nl.update(bulk_supercell)
- indices, offsets = nl.get_neighbors(vac_i)
- offset_factor = relax_radial
- for i, offset in zip(indices, offsets):
- ri = vac.positions[vac_i] - (vac.positions[i] + np.dot(offset, vac.get_cell()))
- vac.positions[i] += offset_factor*ri
- offset_factor += relax_symm_break
-
- del vac[vac_i]
- vac_pos = vac.positions[vac_i]
-
- vac = relax_config(vac, relax_pos=True, relax_cell=False, tol=tol, save_traj=True,
- config_label=label, from_base_model=True, save_config=True, try_restart=True)
- relaxed_filename=run_root+"-%s-relaxed.xyz" % label
- ase.io.write(os.path.join("..",relaxed_filename), vac, format='extxyz')
-
- # already has calculator from relax_configs
- vac_pe = vac.get_potential_energy()
- if len(set(bulk_supercell.get_atomic_numbers())) == 1:
- Ebulk = float(len(vac))/float(len(bulk_supercell)) * bulk_supercell_pe
- else:
- Ebulk = bulk_supercell_pe
- Ef0 = unrelaxed_vac_pe - Ebulk
- Ef = vac_pe - Ebulk
- print("got vacancy",label,"cell energy",vac_pe,"n_atoms",len(vac))
- print("got bulk energy", Ebulk," (scaled to (N-1)/N if single component)")
- return ( label, unrelaxed_filename, Ef0, relaxed_filename, Ef, int(bulk_supercell.get_atomic_numbers()[vac_i]), vac_pos )
-
-def do_all_vacancies(test_dir, nn_cutoff=0.0, tol=1.0e-2):
- print("doing do_all_vacancies")
- bulk_supercell = ase.io.read(os.path.join(test_dir,"bulk_supercell.xyz"), format="extxyz")
- print("got bulk_supercell ", len(bulk_supercell))
-
- bulk = rescale_to_relaxed_bulk(bulk_supercell)
- # relax bulk supercell positions in case it's only approximate (as it must be for different models), but stick
- # to relaxed bulk's lattice constants as set by rescale_to_relaxed_bulk
- bulk_supercell = relax_config(bulk_supercell, relax_pos=True, relax_cell=False, tol=tol, save_traj=True,
- config_label="rescaled_bulk", from_base_model=True, save_config=True)
-
- ase.io.write(os.path.join("..",run_root+"-rescaled-bulk.xyz"), bulk_supercell, format='extxyz')
-
- print("got bulk primitive cell ", bulk.get_cell())
- print("got rescaled bulk_supercell cell ", bulk_supercell.get_cell())
-
- if bulk_supercell.info['vacancies'] == "inequivalent":
- sym_data = spglib.get_symmetry_dataset(bulk_supercell, symprec=0.01)
- prim_vacancy_list = np.unique(sym_data["equivalent_atoms"])
- print("orig cell vacancy_list", prim_vacancy_list)
- if 'arb_supercell' in bulk_supercell.info:
- print("making bulk supercell from", bulk_supercell.info['arb_supercell'].reshape((3,3)) )
- bulk_supersupercell = ase.build.make_supercell(bulk_supercell,bulk_supercell.info['arb_supercell'].reshape((3,3)) )
- print("got supersupercell with ",len(bulk_supersupercell),"atoms, cell\n",bulk_supersupercell.get_cell())
- vacancy_list = []
- for i in prim_vacancy_list:
- p = bulk_supercell.get_positions()[i]
- dv = bulk_supersupercell.get_positions() - p
- dv_scaled = np.dot(dv, bulk_supersupercell.get_reciprocal_cell().T)
- dv -= np.dot(np.round(dv_scaled), bulk_supersupercell.get_cell())
- i_closest = np.argmin(np.linalg.norm(dv, axis=1))
- print("found closest in new cell", i_closest, "distance in orig cell lattice coords", np.dot((bulk_supersupercell.get_positions()[i_closest]-p), \
- bulk_supercell.get_reciprocal_cell().T))
- vacancy_list.append(i_closest)
- bulk_supersupercell.info.update(bulk_supercell.info)
- bulk_supercell = bulk_supersupercell
- else:
- vacancy_list = prim_vacancy_list
- print("final vacancy_list", vacancy_list)
- else:
- try:
- vacancy_list = [ int(i) for i in bulk_supercell.info['vacancies'] ]
- except:
- vacancy_list = [ int(bulk_supercell.info['vacancies']) ]
-
- evaluate(bulk_supercell)
- bulk_supercell_pe = bulk_supercell.get_potential_energy()
- properties = { "bulk_struct_test" : bulk_supercell.info["bulk_struct_test"], "bulk_E_per_atom" : bulk_supercell_pe / len(bulk_supercell), "defects" : {} }
-
- for vac_i in vacancy_list:
- # maybe set up a system to read these from xyz file?
- try:
- relax_radial = bulk_supercell.info['relax_radial_{}'.format(vac_i)]
- except:
- relax_radial = 0.0
- try:
- relax_symm_break = bulk_supercell.info['relax_symm_break_{}'.format(vac_i)]
- except:
- relax_symm_break = 0.0
- (label, unrelaxed_filename, Ef0, relaxed_filename, Ef, vac_Z, vac_pos) = do_one_vacancy(bulk_supercell, bulk_supercell_pe, vac_i, relax_radial, relax_symm_break, nn_cutoff, tol)
-
- properties["defects"][label] = { 'Ef0' : Ef0, 'Ef' : Ef, 'unrelaxed_filename' : unrelaxed_filename,'relaxed_filename' : relaxed_filename,
- 'atom_ind' : int(vac_i), 'Z' : int(vac_Z), 'vac_pos' : vac_pos.tolist()}
- if len(set(bulk_supercell.get_atomic_numbers())) > 1:
- properties["defects"][label]["dmu"] = [1, vac_Z]
-
- print("returning properties", properties)
- return properties
diff --git a/example_models/3BPA/models/ANI_1200K/model.py b/testingframework/example_models/3BPA/models/ANI_1200K/model.py
similarity index 59%
rename from example_models/3BPA/models/ANI_1200K/model.py
rename to testingframework/example_models/3BPA/models/ANI_1200K/model.py
index ddbffe1c3..9c491f5e0 100644
--- a/example_models/3BPA/models/ANI_1200K/model.py
+++ b/testingframework/example_models/3BPA/models/ANI_1200K/model.py
@@ -1,4 +1,4 @@
-# ANI model fitted on 1200K configs
+# ANI model fitted on 1200K configs
import torch
from torchani.neurochem import load_model
@@ -12,20 +12,20 @@
# named `calculator`, which should be an instance of the ase.calculator.Calculator,
# a subclass of this, or a compatible class implementing the calculator interface.
-device = torch.device('cuda' if torch.cuda.is_available() else 'cpu')
+device = torch.device("cuda" if torch.cuda.is_available() else "cpu")
model_dir = os.path.dirname(os.path.realpath(__file__))
-species_order = ['H', 'C', 'N', 'O']
-const_file = os.path.join(model_dir, '../ANI_common/rHCNO-5.2R_16-3.5A_a4-8.params')
+species_order = ["H", "C", "N", "O"]
+const_file = os.path.join(model_dir, "../ANI_common/rHCNO-5.2R_16-3.5A_a4-8.params")
consts = torchani.neurochem.Constants(const_file)
aev_computer = AEVComputer(**consts)
-energy_shifter = load_sae(os.path.join(model_dir, '../ANI_common/sae_linfit.dat'))
+energy_shifter = load_sae(os.path.join(model_dir, "../ANI_common/sae_linfit.dat"))
-nn = load_model(consts.species, os.path.join(model_dir, '../ANI_common'))
-nn.load_state_dict(torch.load(os.path.join(model_dir, 'model1200EF_pre_1_best.pt')))
+nn = load_model(consts.species, os.path.join(model_dir, "../ANI_common"))
+nn.load_state_dict(torch.load(os.path.join(model_dir, "model1200EF_pre_1_best.pt")))
model_trained = Sequential(aev_computer, nn, energy_shifter).to(device)
calculator = Calculator(species=species_order, model=model_trained)
-name = 'ANI_1200K'
+name = "ANI_1200K"
diff --git a/example_models/3BPA/models/ANI_1200K/model1200EF_pre_1_best.pt b/testingframework/example_models/3BPA/models/ANI_1200K/model1200EF_pre_1_best.pt
similarity index 100%
rename from example_models/3BPA/models/ANI_1200K/model1200EF_pre_1_best.pt
rename to testingframework/example_models/3BPA/models/ANI_1200K/model1200EF_pre_1_best.pt
diff --git a/example_models/3BPA/models/ANI_600K/model.py b/testingframework/example_models/3BPA/models/ANI_300K/model.py
similarity index 59%
rename from example_models/3BPA/models/ANI_600K/model.py
rename to testingframework/example_models/3BPA/models/ANI_300K/model.py
index ea43a255e..3a87de700 100644
--- a/example_models/3BPA/models/ANI_600K/model.py
+++ b/testingframework/example_models/3BPA/models/ANI_300K/model.py
@@ -1,4 +1,4 @@
-# ANI model fitted on 600K configs
+# ANI model fitted on 300K configs
import torch
from torchani.neurochem import load_model
@@ -7,24 +7,25 @@
from torchani.neurochem import load_sae
from torchani.nn import Sequential
import os
+
# A module defining a module needs to define only one variable,
# named `calculator`, which should be an instance of the ase.calculator.Calculator,
# a subclass of this, or a compatible class implementing the calculator interface.
-device = torch.device('cuda' if torch.cuda.is_available() else 'cpu')
+device = torch.device("cuda" if torch.cuda.is_available() else "cpu")
model_dir = os.path.dirname(os.path.realpath(__file__))
-species_order = ['H', 'C', 'N', 'O']
-const_file = os.path.join(model_dir, '../ANI_common/rHCNO-5.2R_16-3.5A_a4-8.params')
+species_order = ["H", "C", "N", "O"]
+const_file = os.path.join(model_dir, "../ANI_common/rHCNO-5.2R_16-3.5A_a4-8.params")
consts = torchani.neurochem.Constants(const_file)
aev_computer = AEVComputer(**consts)
-energy_shifter = load_sae(os.path.join(model_dir, '../ANI_common/sae_linfit.dat'))
+energy_shifter = load_sae(os.path.join(model_dir, "../ANI_common/sae_linfit.dat"))
-nn = load_model(consts.species, os.path.join(model_dir, '../ANI_common'))
-nn.load_state_dict(torch.load(os.path.join(model_dir, 'model600EF_pre_1_best.pt')))
+nn = load_model(consts.species, os.path.join(model_dir, "../ANI_common"))
+nn.load_state_dict(torch.load(os.path.join(model_dir, "model300EF_pre_2_best.pt")))
model_trained = Sequential(aev_computer, nn, energy_shifter).to(device)
calculator = Calculator(species=species_order, model=model_trained)
-name = 'ANI_600K'
+name = "ANI_300K"
diff --git a/example_models/3BPA/models/ANI_300K/model300EF_pre_2_best.pt b/testingframework/example_models/3BPA/models/ANI_300K/model300EF_pre_2_best.pt
similarity index 100%
rename from example_models/3BPA/models/ANI_300K/model300EF_pre_2_best.pt
rename to testingframework/example_models/3BPA/models/ANI_300K/model300EF_pre_2_best.pt
diff --git a/example_models/3BPA/models/ANI_300K/model.py b/testingframework/example_models/3BPA/models/ANI_600K/model.py
similarity index 59%
rename from example_models/3BPA/models/ANI_300K/model.py
rename to testingframework/example_models/3BPA/models/ANI_600K/model.py
index 25a001ba9..da0652e8c 100644
--- a/example_models/3BPA/models/ANI_300K/model.py
+++ b/testingframework/example_models/3BPA/models/ANI_600K/model.py
@@ -1,4 +1,4 @@
-# ANI model fitted on 300K configs
+# ANI model fitted on 600K configs
import torch
from torchani.neurochem import load_model
@@ -12,21 +12,20 @@
# named `calculator`, which should be an instance of the ase.calculator.Calculator,
# a subclass of this, or a compatible class implementing the calculator interface.
-device = torch.device('cuda' if torch.cuda.is_available() else 'cpu')
+device = torch.device("cuda" if torch.cuda.is_available() else "cpu")
model_dir = os.path.dirname(os.path.realpath(__file__))
-species_order = ['H', 'C', 'N', 'O']
-const_file = os.path.join(model_dir, '../ANI_common/rHCNO-5.2R_16-3.5A_a4-8.params')
+species_order = ["H", "C", "N", "O"]
+const_file = os.path.join(model_dir, "../ANI_common/rHCNO-5.2R_16-3.5A_a4-8.params")
consts = torchani.neurochem.Constants(const_file)
aev_computer = AEVComputer(**consts)
-energy_shifter = load_sae(os.path.join(model_dir, '../ANI_common/sae_linfit.dat'))
+energy_shifter = load_sae(os.path.join(model_dir, "../ANI_common/sae_linfit.dat"))
-
-nn = load_model(consts.species, os.path.join(model_dir, '../ANI_common'))
-nn.load_state_dict(torch.load(os.path.join(model_dir, 'model300EF_pre_2_best.pt')))
+nn = load_model(consts.species, os.path.join(model_dir, "../ANI_common"))
+nn.load_state_dict(torch.load(os.path.join(model_dir, "model600EF_pre_1_best.pt")))
model_trained = Sequential(aev_computer, nn, energy_shifter).to(device)
calculator = Calculator(species=species_order, model=model_trained)
-name = 'ANI_300K'
+name = "ANI_600K"
diff --git a/example_models/3BPA/models/ANI_600K/model600EF_pre_1_best.pt b/testingframework/example_models/3BPA/models/ANI_600K/model600EF_pre_1_best.pt
similarity index 100%
rename from example_models/3BPA/models/ANI_600K/model600EF_pre_1_best.pt
rename to testingframework/example_models/3BPA/models/ANI_600K/model600EF_pre_1_best.pt
diff --git a/example_models/3BPA/models/ANI_common/ANN-C.nnf b/testingframework/example_models/3BPA/models/ANI_common/ANN-C.nnf
similarity index 100%
rename from example_models/3BPA/models/ANI_common/ANN-C.nnf
rename to testingframework/example_models/3BPA/models/ANI_common/ANN-C.nnf
diff --git a/example_models/3BPA/models/ANI_common/ANN-C.nnf-l1.bparam b/testingframework/example_models/3BPA/models/ANI_common/ANN-C.nnf-l1.bparam
similarity index 100%
rename from example_models/3BPA/models/ANI_common/ANN-C.nnf-l1.bparam
rename to testingframework/example_models/3BPA/models/ANI_common/ANN-C.nnf-l1.bparam
diff --git a/example_models/3BPA/models/ANI_common/ANN-C.nnf-l1.wparam b/testingframework/example_models/3BPA/models/ANI_common/ANN-C.nnf-l1.wparam
similarity index 100%
rename from example_models/3BPA/models/ANI_common/ANN-C.nnf-l1.wparam
rename to testingframework/example_models/3BPA/models/ANI_common/ANN-C.nnf-l1.wparam
diff --git a/example_models/3BPA/models/ANI_common/ANN-C.nnf-l2.bparam b/testingframework/example_models/3BPA/models/ANI_common/ANN-C.nnf-l2.bparam
similarity index 100%
rename from example_models/3BPA/models/ANI_common/ANN-C.nnf-l2.bparam
rename to testingframework/example_models/3BPA/models/ANI_common/ANN-C.nnf-l2.bparam
diff --git a/example_models/3BPA/models/ANI_common/ANN-C.nnf-l2.wparam b/testingframework/example_models/3BPA/models/ANI_common/ANN-C.nnf-l2.wparam
similarity index 100%
rename from example_models/3BPA/models/ANI_common/ANN-C.nnf-l2.wparam
rename to testingframework/example_models/3BPA/models/ANI_common/ANN-C.nnf-l2.wparam
diff --git a/example_models/3BPA/models/ANI_common/ANN-C.nnf-l3.bparam b/testingframework/example_models/3BPA/models/ANI_common/ANN-C.nnf-l3.bparam
similarity index 100%
rename from example_models/3BPA/models/ANI_common/ANN-C.nnf-l3.bparam
rename to testingframework/example_models/3BPA/models/ANI_common/ANN-C.nnf-l3.bparam
diff --git a/example_models/3BPA/models/ANI_common/ANN-C.nnf-l3.wparam b/testingframework/example_models/3BPA/models/ANI_common/ANN-C.nnf-l3.wparam
similarity index 100%
rename from example_models/3BPA/models/ANI_common/ANN-C.nnf-l3.wparam
rename to testingframework/example_models/3BPA/models/ANI_common/ANN-C.nnf-l3.wparam
diff --git a/example_models/3BPA/models/ANI_common/ANN-C.nnf-l4.bparam b/testingframework/example_models/3BPA/models/ANI_common/ANN-C.nnf-l4.bparam
similarity index 100%
rename from example_models/3BPA/models/ANI_common/ANN-C.nnf-l4.bparam
rename to testingframework/example_models/3BPA/models/ANI_common/ANN-C.nnf-l4.bparam
diff --git a/example_models/3BPA/models/ANI_common/ANN-C.nnf-l4.wparam b/testingframework/example_models/3BPA/models/ANI_common/ANN-C.nnf-l4.wparam
similarity index 100%
rename from example_models/3BPA/models/ANI_common/ANN-C.nnf-l4.wparam
rename to testingframework/example_models/3BPA/models/ANI_common/ANN-C.nnf-l4.wparam
diff --git a/example_models/3BPA/models/ANI_common/ANN-H.nnf b/testingframework/example_models/3BPA/models/ANI_common/ANN-H.nnf
similarity index 100%
rename from example_models/3BPA/models/ANI_common/ANN-H.nnf
rename to testingframework/example_models/3BPA/models/ANI_common/ANN-H.nnf
diff --git a/example_models/3BPA/models/ANI_common/ANN-H.nnf-l1.bparam b/testingframework/example_models/3BPA/models/ANI_common/ANN-H.nnf-l1.bparam
similarity index 100%
rename from example_models/3BPA/models/ANI_common/ANN-H.nnf-l1.bparam
rename to testingframework/example_models/3BPA/models/ANI_common/ANN-H.nnf-l1.bparam
diff --git a/example_models/3BPA/models/ANI_common/ANN-H.nnf-l1.wparam b/testingframework/example_models/3BPA/models/ANI_common/ANN-H.nnf-l1.wparam
similarity index 100%
rename from example_models/3BPA/models/ANI_common/ANN-H.nnf-l1.wparam
rename to testingframework/example_models/3BPA/models/ANI_common/ANN-H.nnf-l1.wparam
diff --git a/example_models/3BPA/models/ANI_common/ANN-H.nnf-l2.bparam b/testingframework/example_models/3BPA/models/ANI_common/ANN-H.nnf-l2.bparam
similarity index 100%
rename from example_models/3BPA/models/ANI_common/ANN-H.nnf-l2.bparam
rename to testingframework/example_models/3BPA/models/ANI_common/ANN-H.nnf-l2.bparam
diff --git a/example_models/3BPA/models/ANI_common/ANN-H.nnf-l2.wparam b/testingframework/example_models/3BPA/models/ANI_common/ANN-H.nnf-l2.wparam
similarity index 100%
rename from example_models/3BPA/models/ANI_common/ANN-H.nnf-l2.wparam
rename to testingframework/example_models/3BPA/models/ANI_common/ANN-H.nnf-l2.wparam
diff --git a/example_models/3BPA/models/ANI_common/ANN-H.nnf-l3.bparam b/testingframework/example_models/3BPA/models/ANI_common/ANN-H.nnf-l3.bparam
similarity index 100%
rename from example_models/3BPA/models/ANI_common/ANN-H.nnf-l3.bparam
rename to testingframework/example_models/3BPA/models/ANI_common/ANN-H.nnf-l3.bparam
diff --git a/example_models/3BPA/models/ANI_common/ANN-H.nnf-l3.wparam b/testingframework/example_models/3BPA/models/ANI_common/ANN-H.nnf-l3.wparam
similarity index 100%
rename from example_models/3BPA/models/ANI_common/ANN-H.nnf-l3.wparam
rename to testingframework/example_models/3BPA/models/ANI_common/ANN-H.nnf-l3.wparam
diff --git a/example_models/3BPA/models/ANI_common/ANN-H.nnf-l4.bparam b/testingframework/example_models/3BPA/models/ANI_common/ANN-H.nnf-l4.bparam
similarity index 100%
rename from example_models/3BPA/models/ANI_common/ANN-H.nnf-l4.bparam
rename to testingframework/example_models/3BPA/models/ANI_common/ANN-H.nnf-l4.bparam
diff --git a/example_models/3BPA/models/ANI_common/ANN-H.nnf-l4.wparam b/testingframework/example_models/3BPA/models/ANI_common/ANN-H.nnf-l4.wparam
similarity index 100%
rename from example_models/3BPA/models/ANI_common/ANN-H.nnf-l4.wparam
rename to testingframework/example_models/3BPA/models/ANI_common/ANN-H.nnf-l4.wparam
diff --git a/example_models/3BPA/models/ANI_common/ANN-N.nnf b/testingframework/example_models/3BPA/models/ANI_common/ANN-N.nnf
similarity index 100%
rename from example_models/3BPA/models/ANI_common/ANN-N.nnf
rename to testingframework/example_models/3BPA/models/ANI_common/ANN-N.nnf
diff --git a/example_models/3BPA/models/ANI_common/ANN-N.nnf-l1.bparam b/testingframework/example_models/3BPA/models/ANI_common/ANN-N.nnf-l1.bparam
similarity index 100%
rename from example_models/3BPA/models/ANI_common/ANN-N.nnf-l1.bparam
rename to testingframework/example_models/3BPA/models/ANI_common/ANN-N.nnf-l1.bparam
diff --git a/example_models/3BPA/models/ANI_common/ANN-N.nnf-l1.wparam b/testingframework/example_models/3BPA/models/ANI_common/ANN-N.nnf-l1.wparam
similarity index 100%
rename from example_models/3BPA/models/ANI_common/ANN-N.nnf-l1.wparam
rename to testingframework/example_models/3BPA/models/ANI_common/ANN-N.nnf-l1.wparam
diff --git a/example_models/3BPA/models/ANI_common/ANN-N.nnf-l2.bparam b/testingframework/example_models/3BPA/models/ANI_common/ANN-N.nnf-l2.bparam
similarity index 100%
rename from example_models/3BPA/models/ANI_common/ANN-N.nnf-l2.bparam
rename to testingframework/example_models/3BPA/models/ANI_common/ANN-N.nnf-l2.bparam
diff --git a/example_models/3BPA/models/ANI_common/ANN-N.nnf-l2.wparam b/testingframework/example_models/3BPA/models/ANI_common/ANN-N.nnf-l2.wparam
similarity index 100%
rename from example_models/3BPA/models/ANI_common/ANN-N.nnf-l2.wparam
rename to testingframework/example_models/3BPA/models/ANI_common/ANN-N.nnf-l2.wparam
diff --git a/example_models/3BPA/models/ANI_common/ANN-N.nnf-l3.bparam b/testingframework/example_models/3BPA/models/ANI_common/ANN-N.nnf-l3.bparam
similarity index 100%
rename from example_models/3BPA/models/ANI_common/ANN-N.nnf-l3.bparam
rename to testingframework/example_models/3BPA/models/ANI_common/ANN-N.nnf-l3.bparam
diff --git a/example_models/3BPA/models/ANI_common/ANN-N.nnf-l3.wparam b/testingframework/example_models/3BPA/models/ANI_common/ANN-N.nnf-l3.wparam
similarity index 100%
rename from example_models/3BPA/models/ANI_common/ANN-N.nnf-l3.wparam
rename to testingframework/example_models/3BPA/models/ANI_common/ANN-N.nnf-l3.wparam
diff --git a/example_models/3BPA/models/ANI_common/ANN-N.nnf-l4.bparam b/testingframework/example_models/3BPA/models/ANI_common/ANN-N.nnf-l4.bparam
similarity index 100%
rename from example_models/3BPA/models/ANI_common/ANN-N.nnf-l4.bparam
rename to testingframework/example_models/3BPA/models/ANI_common/ANN-N.nnf-l4.bparam
diff --git a/example_models/3BPA/models/ANI_common/ANN-N.nnf-l4.wparam b/testingframework/example_models/3BPA/models/ANI_common/ANN-N.nnf-l4.wparam
similarity index 100%
rename from example_models/3BPA/models/ANI_common/ANN-N.nnf-l4.wparam
rename to testingframework/example_models/3BPA/models/ANI_common/ANN-N.nnf-l4.wparam
diff --git a/example_models/3BPA/models/ANI_common/ANN-O.nnf b/testingframework/example_models/3BPA/models/ANI_common/ANN-O.nnf
similarity index 100%
rename from example_models/3BPA/models/ANI_common/ANN-O.nnf
rename to testingframework/example_models/3BPA/models/ANI_common/ANN-O.nnf
diff --git a/example_models/3BPA/models/ANI_common/ANN-O.nnf-l1.bparam b/testingframework/example_models/3BPA/models/ANI_common/ANN-O.nnf-l1.bparam
similarity index 100%
rename from example_models/3BPA/models/ANI_common/ANN-O.nnf-l1.bparam
rename to testingframework/example_models/3BPA/models/ANI_common/ANN-O.nnf-l1.bparam
diff --git a/example_models/3BPA/models/ANI_common/ANN-O.nnf-l1.wparam b/testingframework/example_models/3BPA/models/ANI_common/ANN-O.nnf-l1.wparam
similarity index 100%
rename from example_models/3BPA/models/ANI_common/ANN-O.nnf-l1.wparam
rename to testingframework/example_models/3BPA/models/ANI_common/ANN-O.nnf-l1.wparam
diff --git a/example_models/3BPA/models/ANI_common/ANN-O.nnf-l2.bparam b/testingframework/example_models/3BPA/models/ANI_common/ANN-O.nnf-l2.bparam
similarity index 100%
rename from example_models/3BPA/models/ANI_common/ANN-O.nnf-l2.bparam
rename to testingframework/example_models/3BPA/models/ANI_common/ANN-O.nnf-l2.bparam
diff --git a/example_models/3BPA/models/ANI_common/ANN-O.nnf-l2.wparam b/testingframework/example_models/3BPA/models/ANI_common/ANN-O.nnf-l2.wparam
similarity index 100%
rename from example_models/3BPA/models/ANI_common/ANN-O.nnf-l2.wparam
rename to testingframework/example_models/3BPA/models/ANI_common/ANN-O.nnf-l2.wparam
diff --git a/example_models/3BPA/models/ANI_common/ANN-O.nnf-l3.bparam b/testingframework/example_models/3BPA/models/ANI_common/ANN-O.nnf-l3.bparam
similarity index 100%
rename from example_models/3BPA/models/ANI_common/ANN-O.nnf-l3.bparam
rename to testingframework/example_models/3BPA/models/ANI_common/ANN-O.nnf-l3.bparam
diff --git a/example_models/3BPA/models/ANI_common/ANN-O.nnf-l3.wparam b/testingframework/example_models/3BPA/models/ANI_common/ANN-O.nnf-l3.wparam
similarity index 100%
rename from example_models/3BPA/models/ANI_common/ANN-O.nnf-l3.wparam
rename to testingframework/example_models/3BPA/models/ANI_common/ANN-O.nnf-l3.wparam
diff --git a/example_models/3BPA/models/ANI_common/ANN-O.nnf-l4.bparam b/testingframework/example_models/3BPA/models/ANI_common/ANN-O.nnf-l4.bparam
similarity index 100%
rename from example_models/3BPA/models/ANI_common/ANN-O.nnf-l4.bparam
rename to testingframework/example_models/3BPA/models/ANI_common/ANN-O.nnf-l4.bparam
diff --git a/example_models/3BPA/models/ANI_common/ANN-O.nnf-l4.wparam b/testingframework/example_models/3BPA/models/ANI_common/ANN-O.nnf-l4.wparam
similarity index 100%
rename from example_models/3BPA/models/ANI_common/ANN-O.nnf-l4.wparam
rename to testingframework/example_models/3BPA/models/ANI_common/ANN-O.nnf-l4.wparam
diff --git a/example_models/3BPA/models/ANI_common/rHCNO-5.2R_16-3.5A_a4-8.params b/testingframework/example_models/3BPA/models/ANI_common/rHCNO-5.2R_16-3.5A_a4-8.params
similarity index 100%
rename from example_models/3BPA/models/ANI_common/rHCNO-5.2R_16-3.5A_a4-8.params
rename to testingframework/example_models/3BPA/models/ANI_common/rHCNO-5.2R_16-3.5A_a4-8.params
diff --git a/example_models/3BPA/models/ANI_common/sae_linfit.dat b/testingframework/example_models/3BPA/models/ANI_common/sae_linfit.dat
similarity index 100%
rename from example_models/3BPA/models/ANI_common/sae_linfit.dat
rename to testingframework/example_models/3BPA/models/ANI_common/sae_linfit.dat
diff --git a/example_models/3BPA/models/ANI_orig/model.py b/testingframework/example_models/3BPA/models/ANI_orig/model.py
similarity index 67%
rename from example_models/3BPA/models/ANI_orig/model.py
rename to testingframework/example_models/3BPA/models/ANI_orig/model.py
index 8fc4e57ed..a8782c44b 100644
--- a/example_models/3BPA/models/ANI_orig/model.py
+++ b/testingframework/example_models/3BPA/models/ANI_orig/model.py
@@ -12,19 +12,19 @@
# named `calculator`, which should be an instance of the ase.calculator.Calculator,
# a subclass of this, or a compatible class implementing the calculator interface.
-device = torch.device('cuda' if torch.cuda.is_available() else 'cpu')
+device = torch.device("cuda" if torch.cuda.is_available() else "cpu")
model_dir = os.path.dirname(os.path.realpath(__file__))
-species_order = ['H', 'C', 'N', 'O']
-const_file = os.path.join(model_dir, '../ANI_common/rHCNO-5.2R_16-3.5A_a4-8.params')
+species_order = ["H", "C", "N", "O"]
+const_file = os.path.join(model_dir, "../ANI_common/rHCNO-5.2R_16-3.5A_a4-8.params")
consts = torchani.neurochem.Constants(const_file)
aev_computer = AEVComputer(**consts)
-energy_shifter = load_sae(os.path.join(model_dir, '../ANI_common/sae_linfit.dat'))
+energy_shifter = load_sae(os.path.join(model_dir, "../ANI_common/sae_linfit.dat"))
-nn = load_model(consts.species, os.path.join(model_dir, '../ANI_common'))
+nn = load_model(consts.species, os.path.join(model_dir, "../ANI_common"))
model_trained = Sequential(aev_computer, nn, energy_shifter).to(device)
calculator = Calculator(species=species_order, model=model_trained)
-name = 'ANI_orig'
+name = "ANI_orig"
diff --git a/example_models/CH4/models/ANI/ANN-C.nnf b/testingframework/example_models/CH4/models/ANI/ANN-C.nnf
similarity index 100%
rename from example_models/CH4/models/ANI/ANN-C.nnf
rename to testingframework/example_models/CH4/models/ANI/ANN-C.nnf
diff --git a/example_models/CH4/models/ANI/ANN-C.nnf-l1.bparam b/testingframework/example_models/CH4/models/ANI/ANN-C.nnf-l1.bparam
similarity index 100%
rename from example_models/CH4/models/ANI/ANN-C.nnf-l1.bparam
rename to testingframework/example_models/CH4/models/ANI/ANN-C.nnf-l1.bparam
diff --git a/example_models/CH4/models/ANI/ANN-C.nnf-l1.wparam b/testingframework/example_models/CH4/models/ANI/ANN-C.nnf-l1.wparam
similarity index 100%
rename from example_models/CH4/models/ANI/ANN-C.nnf-l1.wparam
rename to testingframework/example_models/CH4/models/ANI/ANN-C.nnf-l1.wparam
diff --git a/example_models/CH4/models/ANI/ANN-C.nnf-l2.bparam b/testingframework/example_models/CH4/models/ANI/ANN-C.nnf-l2.bparam
similarity index 100%
rename from example_models/CH4/models/ANI/ANN-C.nnf-l2.bparam
rename to testingframework/example_models/CH4/models/ANI/ANN-C.nnf-l2.bparam
diff --git a/example_models/CH4/models/ANI/ANN-C.nnf-l2.wparam b/testingframework/example_models/CH4/models/ANI/ANN-C.nnf-l2.wparam
similarity index 100%
rename from example_models/CH4/models/ANI/ANN-C.nnf-l2.wparam
rename to testingframework/example_models/CH4/models/ANI/ANN-C.nnf-l2.wparam
diff --git a/example_models/CH4/models/ANI/ANN-C.nnf-l3.bparam b/testingframework/example_models/CH4/models/ANI/ANN-C.nnf-l3.bparam
similarity index 100%
rename from example_models/CH4/models/ANI/ANN-C.nnf-l3.bparam
rename to testingframework/example_models/CH4/models/ANI/ANN-C.nnf-l3.bparam
diff --git a/example_models/CH4/models/ANI/ANN-C.nnf-l3.wparam b/testingframework/example_models/CH4/models/ANI/ANN-C.nnf-l3.wparam
similarity index 100%
rename from example_models/CH4/models/ANI/ANN-C.nnf-l3.wparam
rename to testingframework/example_models/CH4/models/ANI/ANN-C.nnf-l3.wparam
diff --git a/example_models/CH4/models/ANI/ANN-C.nnf-l4.bparam b/testingframework/example_models/CH4/models/ANI/ANN-C.nnf-l4.bparam
similarity index 100%
rename from example_models/CH4/models/ANI/ANN-C.nnf-l4.bparam
rename to testingframework/example_models/CH4/models/ANI/ANN-C.nnf-l4.bparam
diff --git a/example_models/CH4/models/ANI/ANN-C.nnf-l4.wparam b/testingframework/example_models/CH4/models/ANI/ANN-C.nnf-l4.wparam
similarity index 100%
rename from example_models/CH4/models/ANI/ANN-C.nnf-l4.wparam
rename to testingframework/example_models/CH4/models/ANI/ANN-C.nnf-l4.wparam
diff --git a/example_models/CH4/models/ANI/ANN-H.nnf b/testingframework/example_models/CH4/models/ANI/ANN-H.nnf
similarity index 100%
rename from example_models/CH4/models/ANI/ANN-H.nnf
rename to testingframework/example_models/CH4/models/ANI/ANN-H.nnf
diff --git a/example_models/CH4/models/ANI/ANN-H.nnf-l1.bparam b/testingframework/example_models/CH4/models/ANI/ANN-H.nnf-l1.bparam
similarity index 100%
rename from example_models/CH4/models/ANI/ANN-H.nnf-l1.bparam
rename to testingframework/example_models/CH4/models/ANI/ANN-H.nnf-l1.bparam
diff --git a/example_models/CH4/models/ANI/ANN-H.nnf-l1.wparam b/testingframework/example_models/CH4/models/ANI/ANN-H.nnf-l1.wparam
similarity index 100%
rename from example_models/CH4/models/ANI/ANN-H.nnf-l1.wparam
rename to testingframework/example_models/CH4/models/ANI/ANN-H.nnf-l1.wparam
diff --git a/example_models/CH4/models/ANI/ANN-H.nnf-l2.bparam b/testingframework/example_models/CH4/models/ANI/ANN-H.nnf-l2.bparam
similarity index 100%
rename from example_models/CH4/models/ANI/ANN-H.nnf-l2.bparam
rename to testingframework/example_models/CH4/models/ANI/ANN-H.nnf-l2.bparam
diff --git a/example_models/CH4/models/ANI/ANN-H.nnf-l2.wparam b/testingframework/example_models/CH4/models/ANI/ANN-H.nnf-l2.wparam
similarity index 100%
rename from example_models/CH4/models/ANI/ANN-H.nnf-l2.wparam
rename to testingframework/example_models/CH4/models/ANI/ANN-H.nnf-l2.wparam
diff --git a/example_models/CH4/models/ANI/ANN-H.nnf-l3.bparam b/testingframework/example_models/CH4/models/ANI/ANN-H.nnf-l3.bparam
similarity index 100%
rename from example_models/CH4/models/ANI/ANN-H.nnf-l3.bparam
rename to testingframework/example_models/CH4/models/ANI/ANN-H.nnf-l3.bparam
diff --git a/example_models/CH4/models/ANI/ANN-H.nnf-l3.wparam b/testingframework/example_models/CH4/models/ANI/ANN-H.nnf-l3.wparam
similarity index 100%
rename from example_models/CH4/models/ANI/ANN-H.nnf-l3.wparam
rename to testingframework/example_models/CH4/models/ANI/ANN-H.nnf-l3.wparam
diff --git a/example_models/CH4/models/ANI/ANN-H.nnf-l4.bparam b/testingframework/example_models/CH4/models/ANI/ANN-H.nnf-l4.bparam
similarity index 100%
rename from example_models/CH4/models/ANI/ANN-H.nnf-l4.bparam
rename to testingframework/example_models/CH4/models/ANI/ANN-H.nnf-l4.bparam
diff --git a/example_models/CH4/models/ANI/ANN-H.nnf-l4.wparam b/testingframework/example_models/CH4/models/ANI/ANN-H.nnf-l4.wparam
similarity index 100%
rename from example_models/CH4/models/ANI/ANN-H.nnf-l4.wparam
rename to testingframework/example_models/CH4/models/ANI/ANN-H.nnf-l4.wparam
diff --git a/example_models/CH4/models/ANI/ANN-N.nnf b/testingframework/example_models/CH4/models/ANI/ANN-N.nnf
similarity index 100%
rename from example_models/CH4/models/ANI/ANN-N.nnf
rename to testingframework/example_models/CH4/models/ANI/ANN-N.nnf
diff --git a/example_models/CH4/models/ANI/ANN-N.nnf-l1.bparam b/testingframework/example_models/CH4/models/ANI/ANN-N.nnf-l1.bparam
similarity index 100%
rename from example_models/CH4/models/ANI/ANN-N.nnf-l1.bparam
rename to testingframework/example_models/CH4/models/ANI/ANN-N.nnf-l1.bparam
diff --git a/example_models/CH4/models/ANI/ANN-N.nnf-l1.wparam b/testingframework/example_models/CH4/models/ANI/ANN-N.nnf-l1.wparam
similarity index 100%
rename from example_models/CH4/models/ANI/ANN-N.nnf-l1.wparam
rename to testingframework/example_models/CH4/models/ANI/ANN-N.nnf-l1.wparam
diff --git a/example_models/CH4/models/ANI/ANN-N.nnf-l2.bparam b/testingframework/example_models/CH4/models/ANI/ANN-N.nnf-l2.bparam
similarity index 100%
rename from example_models/CH4/models/ANI/ANN-N.nnf-l2.bparam
rename to testingframework/example_models/CH4/models/ANI/ANN-N.nnf-l2.bparam
diff --git a/example_models/CH4/models/ANI/ANN-N.nnf-l2.wparam b/testingframework/example_models/CH4/models/ANI/ANN-N.nnf-l2.wparam
similarity index 100%
rename from example_models/CH4/models/ANI/ANN-N.nnf-l2.wparam
rename to testingframework/example_models/CH4/models/ANI/ANN-N.nnf-l2.wparam
diff --git a/example_models/CH4/models/ANI/ANN-N.nnf-l3.bparam b/testingframework/example_models/CH4/models/ANI/ANN-N.nnf-l3.bparam
similarity index 100%
rename from example_models/CH4/models/ANI/ANN-N.nnf-l3.bparam
rename to testingframework/example_models/CH4/models/ANI/ANN-N.nnf-l3.bparam
diff --git a/example_models/CH4/models/ANI/ANN-N.nnf-l3.wparam b/testingframework/example_models/CH4/models/ANI/ANN-N.nnf-l3.wparam
similarity index 100%
rename from example_models/CH4/models/ANI/ANN-N.nnf-l3.wparam
rename to testingframework/example_models/CH4/models/ANI/ANN-N.nnf-l3.wparam
diff --git a/example_models/CH4/models/ANI/ANN-N.nnf-l4.bparam b/testingframework/example_models/CH4/models/ANI/ANN-N.nnf-l4.bparam
similarity index 100%
rename from example_models/CH4/models/ANI/ANN-N.nnf-l4.bparam
rename to testingframework/example_models/CH4/models/ANI/ANN-N.nnf-l4.bparam
diff --git a/example_models/CH4/models/ANI/ANN-N.nnf-l4.wparam b/testingframework/example_models/CH4/models/ANI/ANN-N.nnf-l4.wparam
similarity index 100%
rename from example_models/CH4/models/ANI/ANN-N.nnf-l4.wparam
rename to testingframework/example_models/CH4/models/ANI/ANN-N.nnf-l4.wparam
diff --git a/example_models/CH4/models/ANI/ANN-O.nnf b/testingframework/example_models/CH4/models/ANI/ANN-O.nnf
similarity index 100%
rename from example_models/CH4/models/ANI/ANN-O.nnf
rename to testingframework/example_models/CH4/models/ANI/ANN-O.nnf
diff --git a/example_models/CH4/models/ANI/ANN-O.nnf-l1.bparam b/testingframework/example_models/CH4/models/ANI/ANN-O.nnf-l1.bparam
similarity index 100%
rename from example_models/CH4/models/ANI/ANN-O.nnf-l1.bparam
rename to testingframework/example_models/CH4/models/ANI/ANN-O.nnf-l1.bparam
diff --git a/example_models/CH4/models/ANI/ANN-O.nnf-l1.wparam b/testingframework/example_models/CH4/models/ANI/ANN-O.nnf-l1.wparam
similarity index 100%
rename from example_models/CH4/models/ANI/ANN-O.nnf-l1.wparam
rename to testingframework/example_models/CH4/models/ANI/ANN-O.nnf-l1.wparam
diff --git a/example_models/CH4/models/ANI/ANN-O.nnf-l2.bparam b/testingframework/example_models/CH4/models/ANI/ANN-O.nnf-l2.bparam
similarity index 100%
rename from example_models/CH4/models/ANI/ANN-O.nnf-l2.bparam
rename to testingframework/example_models/CH4/models/ANI/ANN-O.nnf-l2.bparam
diff --git a/example_models/CH4/models/ANI/ANN-O.nnf-l2.wparam b/testingframework/example_models/CH4/models/ANI/ANN-O.nnf-l2.wparam
similarity index 100%
rename from example_models/CH4/models/ANI/ANN-O.nnf-l2.wparam
rename to testingframework/example_models/CH4/models/ANI/ANN-O.nnf-l2.wparam
diff --git a/example_models/CH4/models/ANI/ANN-O.nnf-l3.bparam b/testingframework/example_models/CH4/models/ANI/ANN-O.nnf-l3.bparam
similarity index 100%
rename from example_models/CH4/models/ANI/ANN-O.nnf-l3.bparam
rename to testingframework/example_models/CH4/models/ANI/ANN-O.nnf-l3.bparam
diff --git a/example_models/CH4/models/ANI/ANN-O.nnf-l3.wparam b/testingframework/example_models/CH4/models/ANI/ANN-O.nnf-l3.wparam
similarity index 100%
rename from example_models/CH4/models/ANI/ANN-O.nnf-l3.wparam
rename to testingframework/example_models/CH4/models/ANI/ANN-O.nnf-l3.wparam
diff --git a/example_models/CH4/models/ANI/ANN-O.nnf-l4.bparam b/testingframework/example_models/CH4/models/ANI/ANN-O.nnf-l4.bparam
similarity index 100%
rename from example_models/CH4/models/ANI/ANN-O.nnf-l4.bparam
rename to testingframework/example_models/CH4/models/ANI/ANN-O.nnf-l4.bparam
diff --git a/example_models/CH4/models/ANI/ANN-O.nnf-l4.wparam b/testingframework/example_models/CH4/models/ANI/ANN-O.nnf-l4.wparam
similarity index 100%
rename from example_models/CH4/models/ANI/ANN-O.nnf-l4.wparam
rename to testingframework/example_models/CH4/models/ANI/ANN-O.nnf-l4.wparam
diff --git a/example_models/CH4/models/ANI/model.py b/testingframework/example_models/CH4/models/ANI/model.py
similarity index 76%
rename from example_models/CH4/models/ANI/model.py
rename to testingframework/example_models/CH4/models/ANI/model.py
index 9a175a19a..6fb783c8f 100644
--- a/example_models/CH4/models/ANI/model.py
+++ b/testingframework/example_models/CH4/models/ANI/model.py
@@ -18,13 +18,13 @@
model_dir = os.path.dirname(os.path.realpath(__file__))
-device = torch.device('cuda' if torch.cuda.is_available() else 'cpu')
+device = torch.device("cuda" if torch.cuda.is_available() else "cpu")
-species_order = ['H', 'C', 'N', 'O']
-const_file = os.path.join(model_dir,'rHCNO-5.2R_16-3.5A_a4-8.params')
+species_order = ["H", "C", "N", "O"]
+const_file = os.path.join(model_dir, "rHCNO-5.2R_16-3.5A_a4-8.params")
consts = torchani.neurochem.Constants(const_file)
aev_computer = AEVComputer(**consts)
-energy_shifter = load_sae(os.path.join(model_dir,'sae_linfit.dat'))
+energy_shifter = load_sae(os.path.join(model_dir, "sae_linfit.dat"))
nn = load_model(consts.species, model_dir)
@@ -32,4 +32,4 @@
calculator = Calculator(species=species_order, model=model_trained)
-name = 'ANI'
+name = "ANI"
diff --git a/example_models/CH4/models/ANI/rHCNO-5.2R_16-3.5A_a4-8.params b/testingframework/example_models/CH4/models/ANI/rHCNO-5.2R_16-3.5A_a4-8.params
similarity index 100%
rename from example_models/CH4/models/ANI/rHCNO-5.2R_16-3.5A_a4-8.params
rename to testingframework/example_models/CH4/models/ANI/rHCNO-5.2R_16-3.5A_a4-8.params
diff --git a/example_models/CH4/models/ANI/sae_linfit.dat b/testingframework/example_models/CH4/models/ANI/sae_linfit.dat
similarity index 100%
rename from example_models/CH4/models/ANI/sae_linfit.dat
rename to testingframework/example_models/CH4/models/ANI/sae_linfit.dat
diff --git a/example_models/CH4/run_dir/.ipynb_checkpoints/CH4 dissociation ANI plot-checkpoint.ipynb b/testingframework/example_models/CH4/run_dir/.ipynb_checkpoints/CH4 dissociation ANI plot-checkpoint.ipynb
similarity index 100%
rename from example_models/CH4/run_dir/.ipynb_checkpoints/CH4 dissociation ANI plot-checkpoint.ipynb
rename to testingframework/example_models/CH4/run_dir/.ipynb_checkpoints/CH4 dissociation ANI plot-checkpoint.ipynb
diff --git a/example_models/CH4/run_dir/CH4 dissociation ANI plot.ipynb b/testingframework/example_models/CH4/run_dir/CH4 dissociation ANI plot.ipynb
similarity index 100%
rename from example_models/CH4/run_dir/CH4 dissociation ANI plot.ipynb
rename to testingframework/example_models/CH4/run_dir/CH4 dissociation ANI plot.ipynb
diff --git a/example_models/CH4/run_dir/CH4-model-ANI-test-atomisation-properties.json b/testingframework/example_models/CH4/run_dir/CH4-model-ANI-test-atomisation-properties.json
similarity index 100%
rename from example_models/CH4/run_dir/CH4-model-ANI-test-atomisation-properties.json
rename to testingframework/example_models/CH4/run_dir/CH4-model-ANI-test-atomisation-properties.json
diff --git a/example_models/CH4/run_dir/CH4-model-ANI-test-atomisation.txt b/testingframework/example_models/CH4/run_dir/CH4-model-ANI-test-atomisation.txt
similarity index 100%
rename from example_models/CH4/run_dir/CH4-model-ANI-test-atomisation.txt
rename to testingframework/example_models/CH4/run_dir/CH4-model-ANI-test-atomisation.txt
diff --git a/example_models/CH4/run_dir/run_CH4-model-ANI-test-atomisation/CH4-model-ANI-test-atomisation.db b/testingframework/example_models/CH4/run_dir/run_CH4-model-ANI-test-atomisation/CH4-model-ANI-test-atomisation.db
similarity index 100%
rename from example_models/CH4/run_dir/run_CH4-model-ANI-test-atomisation/CH4-model-ANI-test-atomisation.db
rename to testingframework/example_models/CH4/run_dir/run_CH4-model-ANI-test-atomisation/CH4-model-ANI-test-atomisation.db
diff --git a/example_models/CH4/run_dir/run_CH4-model-ANI-test-atomisation/CH4-model-ANI-test-atomisation_atomisation_1.xyz b/testingframework/example_models/CH4/run_dir/run_CH4-model-ANI-test-atomisation/CH4-model-ANI-test-atomisation_atomisation_1.xyz
similarity index 100%
rename from example_models/CH4/run_dir/run_CH4-model-ANI-test-atomisation/CH4-model-ANI-test-atomisation_atomisation_1.xyz
rename to testingframework/example_models/CH4/run_dir/run_CH4-model-ANI-test-atomisation/CH4-model-ANI-test-atomisation_atomisation_1.xyz
diff --git a/example_models/CH4/run_dir/run_CH4-model-ANI-test-atomisation/CH4-model-ANI-test-atomisation_atomisation_2.xyz b/testingframework/example_models/CH4/run_dir/run_CH4-model-ANI-test-atomisation/CH4-model-ANI-test-atomisation_atomisation_2.xyz
similarity index 100%
rename from example_models/CH4/run_dir/run_CH4-model-ANI-test-atomisation/CH4-model-ANI-test-atomisation_atomisation_2.xyz
rename to testingframework/example_models/CH4/run_dir/run_CH4-model-ANI-test-atomisation/CH4-model-ANI-test-atomisation_atomisation_2.xyz
diff --git a/example_models/CH4/run_dir/run_CH4-model-ANI-test-atomisation/CH4-model-ANI-test-atomisation_atomisation_3.xyz b/testingframework/example_models/CH4/run_dir/run_CH4-model-ANI-test-atomisation/CH4-model-ANI-test-atomisation_atomisation_3.xyz
similarity index 100%
rename from example_models/CH4/run_dir/run_CH4-model-ANI-test-atomisation/CH4-model-ANI-test-atomisation_atomisation_3.xyz
rename to testingframework/example_models/CH4/run_dir/run_CH4-model-ANI-test-atomisation/CH4-model-ANI-test-atomisation_atomisation_3.xyz
diff --git a/example_models/CH4/run_dir/run_CH4-model-ANI-test-atomisation/CH4-model-ANI-test-atomisation_atomisation_4.xyz b/testingframework/example_models/CH4/run_dir/run_CH4-model-ANI-test-atomisation/CH4-model-ANI-test-atomisation_atomisation_4.xyz
similarity index 100%
rename from example_models/CH4/run_dir/run_CH4-model-ANI-test-atomisation/CH4-model-ANI-test-atomisation_atomisation_4.xyz
rename to testingframework/example_models/CH4/run_dir/run_CH4-model-ANI-test-atomisation/CH4-model-ANI-test-atomisation_atomisation_4.xyz
diff --git a/example_models/CSiGe/models/SW/ip.parms.SW.xml b/testingframework/example_models/CSiGe/models/SW/ip.parms.SW.xml
similarity index 100%
rename from example_models/CSiGe/models/SW/ip.parms.SW.xml
rename to testingframework/example_models/CSiGe/models/SW/ip.parms.SW.xml
diff --git a/example_models/CSiGe/models/SW/model.py b/testingframework/example_models/CSiGe/models/SW/model.py
similarity index 68%
rename from example_models/CSiGe/models/SW/model.py
rename to testingframework/example_models/CSiGe/models/SW/model.py
index 4b438a584..0d3a1f634 100644
--- a/example_models/CSiGe/models/SW/model.py
+++ b/testingframework/example_models/CSiGe/models/SW/model.py
@@ -1,14 +1,16 @@
# Model for Stillinger-Weber with original parameters for Si (Z=14)
from quippy.potential import Potential
-from utilities import path_of_file
+from testingframework.share.utilities import path_of_file
# A module defining a module needs to define only one variable,
# named `calculator`, which should be an instance of the ase.calculator.Calculator,
# a subclass of this, or a compatible class implementing the calculator interface.
-calculator = Potential('IP SW', param_filename=(path_of_file(__file__)+"/ip.parms.SW.xml"))
+calculator = Potential(
+ "IP SW", param_filename=(path_of_file(__file__) + "/ip.parms.SW.xml")
+)
no_checkpoint = True
-name = 'SW'
+name = "SW"
diff --git a/example_models/CSiGe/models/Tersoff/model.py b/testingframework/example_models/CSiGe/models/Tersoff/model.py
similarity index 94%
rename from example_models/CSiGe/models/Tersoff/model.py
rename to testingframework/example_models/CSiGe/models/Tersoff/model.py
index f759fac83..945bf51da 100644
--- a/example_models/CSiGe/models/Tersoff/model.py
+++ b/testingframework/example_models/CSiGe/models/Tersoff/model.py
@@ -6,7 +6,9 @@
# named `calculator`, which should be an instance of the ase.calculator.Calculator,
# a subclass of this, or a compatible class implementing the calculator interface.
-calculator = Potential('IP Tersoff', param_str="""
+calculator = Potential(
+ "IP Tersoff",
+ param_str="""
Tersoff, Phys. Rev. B v 39, p 5566 (1989)
-""")
+""",
+)
no_checkpoint = True
-name = 'Tersoff'
+name = "Tersoff"
diff --git a/example_models/CSiGe/models/VASP/README b/testingframework/example_models/CSiGe/models/VASP/README
similarity index 100%
rename from example_models/CSiGe/models/VASP/README
rename to testingframework/example_models/CSiGe/models/VASP/README
diff --git a/example_models/CSiGe/models/VASP/model.py b/testingframework/example_models/CSiGe/models/VASP/model.py
similarity index 64%
rename from example_models/CSiGe/models/VASP/model.py
rename to testingframework/example_models/CSiGe/models/VASP/model.py
index aea9d3ccf..f5a23fe62 100644
--- a/example_models/CSiGe/models/VASP/model.py
+++ b/testingframework/example_models/CSiGe/models/VASP/model.py
@@ -5,48 +5,60 @@
from ase.calculators.vasp import Vasp2
-mydir=os.path.abspath(os.path.dirname(__file__))
+mydir = os.path.abspath(os.path.dirname(__file__))
# assume PAWs are saved in mydir/potpaw_PBE//POTCAR
# note that different XC functionals may lead to potpaw_PBE/ replaced with another directory
# see Vasp2 calculator for details
-os.environ["VASP_PP_PATH"]=mydir
+os.environ["VASP_PP_PATH"] = mydir
# VASP KSPACING units
-kspacing_value=0.15
+kspacing_value = 0.15
# keywords related to this model (except k-points, which are handled separately)
-vasp_keywords = { 'encut' : 238.0, 'xc' : 'PBE', 'ismear' : 0, 'sigma' : 0.05,
- 'nelm' : 150, 'algo' : 'normal', 'amix' : 0.03, 'bmix' : 0.01 }
+vasp_keywords = {
+ "encut": 238.0,
+ "xc": "PBE",
+ "ismear": 0,
+ "sigma": 0.05,
+ "nelm": 150,
+ "algo": "normal",
+ "amix": 0.03,
+ "bmix": 0.01,
+}
# keywords related to accuracy
-vasp_keywords.update( { 'ediff' : 1.0e-8, 'prec' : 'Accurate', 'addgrid' : True, 'lreal' : False } )
+vasp_keywords.update(
+ {"ediff": 1.0e-8, "prec": "Accurate", "addgrid": True, "lreal": False}
+)
# keywords that should always be there
-vasp_keywords.update( { 'ignore_constraints' : True, 'isif' : 3, 'isym' : 0 } )
+vasp_keywords.update({"ignore_constraints": True, "isif": 3, "isym": 0})
# keywords related to parallelism. Setting ncore sensibly is important for efficiency
-vasp_keywords.update( { 'lscalapack' : False, 'lplane' : False, 'kpar' : 8,
- 'ncore' : os.environ["VASP_NCORE"] } )
+vasp_keywords.update(
+ {"lscalapack": False, "lplane": False, "kpar": 8, "ncore": os.environ["VASP_NCORE"]}
+)
# wipe restart files (when going to new atoms object) so VASP isn't confused
# see vasp2_set_atoms() below
def wipe_restart(directory):
try:
- os.unlink(os.path.join(directory,"WAVECAR"))
- sys.stderr.write("wiped {}\n".format(os.path.join(directory,"WAVECAR")))
+ os.unlink(os.path.join(directory, "WAVECAR"))
+ sys.stderr.write("wiped {}\n".format(os.path.join(directory, "WAVECAR")))
except FileNotFoundError:
pass
try:
- os.unlink(os.path.join(directory,"CHGCAR"))
- sys.stderr.write("wiped {}\n".format(os.path.join(directory,"CHGCAR")))
+ os.unlink(os.path.join(directory, "CHGCAR"))
+ sys.stderr.write("wiped {}\n".format(os.path.join(directory, "CHGCAR")))
except FileNotFoundError:
pass
+
# default calculator to kspacing_value, gamma-centered
-default_calculator = Vasp2(kspacing=kspacing_value,kgamma=True, **vasp_keywords)
+default_calculator = Vasp2(kspacing=kspacing_value, kgamma=True, **vasp_keywords)
calculator = default_calculator
# wipe KPOINTS in case running in old dir and first run might be KSPACING based
try:
- os.unlink(os.path.join(calculator.directory,"KPOINTS"))
+ os.unlink(os.path.join(calculator.directory, "KPOINTS"))
except FileNotFoundError:
pass
wipe_restart(calculator.directory)
@@ -59,6 +71,8 @@ def vasp2_set_atoms(self, atoms):
self.results = {}
wipe_restart(self.directory)
self.atoms = atoms.copy()
+
+
Vasp2.set_atoms = vasp2_set_atoms
# explicitly set number of k-points from now on using kspacing_value, still gamma-centered
@@ -69,17 +83,23 @@ def fix_cell_dependence(at=None):
if at is None:
calculator = default_calculator
try:
- os.unlink(os.path.join(calculator.directory,"KPOINTS"))
+ os.unlink(os.path.join(calculator.directory, "KPOINTS"))
except:
pass
print("fix_cell_dependence() going back to default")
else:
bz_cell = at.get_reciprocal_cell()
- n_kpts = np.floor(np.linalg.norm(bz_cell,axis=1)*2.0*np.pi/kspacing_value).astype(int)+1
- print("fix_cell_dependence() got n_kpts", n_kpts,"from recip cell",bz_cell)
+ n_kpts = (
+ np.floor(
+ np.linalg.norm(bz_cell, axis=1) * 2.0 * np.pi / kspacing_value
+ ).astype(int)
+ + 1
+ )
+ print("fix_cell_dependence() got n_kpts", n_kpts, "from recip cell", bz_cell)
calculator = Vasp2(kpts=n_kpts, gamma=True, **vasp_keywords)
+
# want checkpointing, but broken now because of force_consistent
# no_checkpoint = False
no_checkpoint = True
-name = 'VASP'
+name = "VASP"
diff --git a/example_models/CSiGe/run_dir/default_analysis_opts.json b/testingframework/example_models/CSiGe/run_dir/default_analysis_opts.json
similarity index 100%
rename from example_models/CSiGe/run_dir/default_analysis_opts.json
rename to testingframework/example_models/CSiGe/run_dir/default_analysis_opts.json
diff --git a/example_models/CSiGe/run_dir/default_analysis_settings.json b/testingframework/example_models/CSiGe/run_dir/default_analysis_settings.json
similarity index 100%
rename from example_models/CSiGe/run_dir/default_analysis_settings.json
rename to testingframework/example_models/CSiGe/run_dir/default_analysis_settings.json
diff --git a/example_models/CSiGe/run_dir/default_run_opts.json b/testingframework/example_models/CSiGe/run_dir/default_run_opts.json
similarity index 100%
rename from example_models/CSiGe/run_dir/default_run_opts.json
rename to testingframework/example_models/CSiGe/run_dir/default_run_opts.json
diff --git a/example_models/CSiGe/run_dir/test.bugs_script.tin b/testingframework/example_models/CSiGe/run_dir/test.bugs_script.tin
similarity index 100%
rename from example_models/CSiGe/run_dir/test.bugs_script.tin
rename to testingframework/example_models/CSiGe/run_dir/test.bugs_script.tin
diff --git a/example_models/CSiGe/run_dir/test.bugs_script_mpi.tin b/testingframework/example_models/CSiGe/run_dir/test.bugs_script_mpi.tin
similarity index 100%
rename from example_models/CSiGe/run_dir/test.bugs_script_mpi.tin
rename to testingframework/example_models/CSiGe/run_dir/test.bugs_script_mpi.tin
diff --git a/example_models/CSiGe/run_dir/test.bugs_script_openmp.tin b/testingframework/example_models/CSiGe/run_dir/test.bugs_script_openmp.tin
similarity index 100%
rename from example_models/CSiGe/run_dir/test.bugs_script_openmp.tin
rename to testingframework/example_models/CSiGe/run_dir/test.bugs_script_openmp.tin
diff --git a/example_models/Si/models/ACE_B8_N4_18_lap_1.1/Si_B8_N4_18_07_rid_1.1_rep.json b/testingframework/example_models/Si/models/ACE_B8_N4_18_lap_1.1/Si_B8_N4_18_07_rid_1.1_rep.json
similarity index 100%
rename from example_models/Si/models/ACE_B8_N4_18_lap_1.1/Si_B8_N4_18_07_rid_1.1_rep.json
rename to testingframework/example_models/Si/models/ACE_B8_N4_18_lap_1.1/Si_B8_N4_18_07_rid_1.1_rep.json
diff --git a/example_models/Si/models/ACE_B8_N4_18_lap_1.1/model.py b/testingframework/example_models/Si/models/ACE_B8_N4_18_lap_1.1/model.py
similarity index 73%
rename from example_models/Si/models/ACE_B8_N4_18_lap_1.1/model.py
rename to testingframework/example_models/Si/models/ACE_B8_N4_18_lap_1.1/model.py
index b780e5c03..5bf8229c4 100644
--- a/example_models/Si/models/ACE_B8_N4_18_lap_1.1/model.py
+++ b/testingframework/example_models/Si/models/ACE_B8_N4_18_lap_1.1/model.py
@@ -3,7 +3,7 @@
import glob
model_dir = os.path.dirname(os.path.realpath(__file__))
-pot_name = glob.glob(os.path.join(model_dir,"*.json"))[0]
+pot_name = glob.glob(os.path.join(model_dir, "*.json"))[0]
calculator = pyjulip.ACE(pot_name)
diff --git a/example_models/Si/models/CASTEP_ASE/Si_OTF.usp b/testingframework/example_models/Si/models/CASTEP_ASE/Si_OTF.usp
similarity index 100%
rename from example_models/Si/models/CASTEP_ASE/Si_OTF.usp
rename to testingframework/example_models/Si/models/CASTEP_ASE/Si_OTF.usp
diff --git a/testingframework/example_models/Si/models/CASTEP_ASE/model.py b/testingframework/example_models/Si/models/CASTEP_ASE/model.py
new file mode 100644
index 000000000..054c38ee4
--- /dev/null
+++ b/testingframework/example_models/Si/models/CASTEP_ASE/model.py
@@ -0,0 +1,37 @@
+import os
+from distutils import spawn
+from ase.calculators.castep import Castep
+
+model_abs_dir = os.path.abspath(os.path.dirname(__file__))
+
+mpirun = "mpirun"
+mpirun_args = "-n 16"
+castep = "castep.mpi"
+
+os.environ["CASTEP_COMMAND"] = "{0} {1} {2}".format(mpirun, mpirun_args, castep)
+
+no_checkpoint = True
+
+
+def start(test_name):
+ global calculator
+ calculator = Castep(
+ directory=test_name,
+ cut_off_energy=250,
+ spin_polarized=False,
+ opt_strategy="speed",
+ xc_functional="PW91",
+ elec_energy_tol="0.0000001",
+ max_scf_cycles=250,
+ fix_occupancy=False,
+ calculate_stress=True,
+ finite_basis_corr="automatic",
+ smearing_width="0.05",
+ fine_grid_scale=4,
+ mixing_scheme="pulay",
+ mix_history_length=20,
+ num_dump_cycles=0,
+ kpoints_mp_spacing="0.030", # note that other values were used for some tests, e.g. 0.015 for bulk E(V), 0.07 for minimization of GAP amorphous structures, and perhaps some other variations
+ species_pot=("Si", "{}/Si_OTF.usp".format(model_abs_dir)),
+ perc_extra_bands=200,
+ )
diff --git a/example_models/Si/models/GAP/README b/testingframework/example_models/Si/models/GAP/README
similarity index 100%
rename from example_models/Si/models/GAP/README
rename to testingframework/example_models/Si/models/GAP/README
diff --git a/example_models/Si/models/pACE_B8_N4_18_07_lap_1.1/Si_B8_N4_18_07_rid_1.1_2B+ACE.ace b/testingframework/example_models/Si/models/pACE_B8_N4_18_07_lap_1.1/Si_B8_N4_18_07_rid_1.1_2B+ACE.ace
similarity index 100%
rename from example_models/Si/models/pACE_B8_N4_18_07_lap_1.1/Si_B8_N4_18_07_rid_1.1_2B+ACE.ace
rename to testingframework/example_models/Si/models/pACE_B8_N4_18_07_lap_1.1/Si_B8_N4_18_07_rid_1.1_2B+ACE.ace
diff --git a/example_models/Si/models/pACE_B8_N4_18_07_lap_1.1/model.py b/testingframework/example_models/Si/models/pACE_B8_N4_18_07_lap_1.1/model.py
similarity index 56%
rename from example_models/Si/models/pACE_B8_N4_18_07_lap_1.1/model.py
rename to testingframework/example_models/Si/models/pACE_B8_N4_18_07_lap_1.1/model.py
index a3ed235e1..611c6126c 100644
--- a/example_models/Si/models/pACE_B8_N4_18_07_lap_1.1/model.py
+++ b/testingframework/example_models/Si/models/pACE_B8_N4_18_07_lap_1.1/model.py
@@ -1,17 +1,19 @@
import os
from ase.calculators.lammpsrun import LAMMPS
-os.environ["ASE_LAMMPSRUN_COMMAND"]="/Users/Cas/gits/lammps-ace/src/lmp_serial"
+os.environ["ASE_LAMMPSRUN_COMMAND"] = "/Users/Cas/gits/lammps-ace/src/lmp_serial"
model_dir = os.path.dirname(os.path.realpath(__file__))
-parameters = {'pair_style': 'pace',
- 'pair_coeff': ['* * Si_B8_N4_18_07_rid_1.1_2B+ACE.ace Si']}
+parameters = {
+ "pair_style": "pace",
+ "pair_coeff": ["* * Si_B8_N4_18_07_rid_1.1_2B+ACE.ace Si"],
+}
files = [os.path.join(model_dir, "Si_B8_N4_18_07_rid_1.1_2B+ACE.ace")]
calculator = LAMMPS(parameters=parameters, files=files)
-name="ACE"
+name = "ACE"
no_checkpoint = True
diff --git a/example_models/Si/models/pACE_B8_N4_18_07_lap_dia_1.1/Si_B8_N4_18_07_lap_dia_1.1_rep_2B+ACE.ace b/testingframework/example_models/Si/models/pACE_B8_N4_18_07_lap_dia_1.1/Si_B8_N4_18_07_lap_dia_1.1_rep_2B+ACE.ace
similarity index 100%
rename from example_models/Si/models/pACE_B8_N4_18_07_lap_dia_1.1/Si_B8_N4_18_07_lap_dia_1.1_rep_2B+ACE.ace
rename to testingframework/example_models/Si/models/pACE_B8_N4_18_07_lap_dia_1.1/Si_B8_N4_18_07_lap_dia_1.1_rep_2B+ACE.ace
diff --git a/example_models/Si/models/pACE_B8_N4_18_07_lap_dia_1.1/model.py b/testingframework/example_models/Si/models/pACE_B8_N4_18_07_lap_dia_1.1/model.py
similarity index 56%
rename from example_models/Si/models/pACE_B8_N4_18_07_lap_dia_1.1/model.py
rename to testingframework/example_models/Si/models/pACE_B8_N4_18_07_lap_dia_1.1/model.py
index 2d607cfeb..56a73a5a2 100644
--- a/example_models/Si/models/pACE_B8_N4_18_07_lap_dia_1.1/model.py
+++ b/testingframework/example_models/Si/models/pACE_B8_N4_18_07_lap_dia_1.1/model.py
@@ -1,17 +1,19 @@
import os
from ase.calculators.lammpsrun import LAMMPS
-os.environ["ASE_LAMMPSRUN_COMMAND"]="/Users/Cas/gits/lammps-ace/src/lmp_serial"
+os.environ["ASE_LAMMPSRUN_COMMAND"] = "/Users/Cas/gits/lammps-ace/src/lmp_serial"
model_dir = os.path.dirname(os.path.realpath(__file__))
-parameters = {'pair_style': 'pace',
- 'pair_coeff': ['* * Si_B8_N4_18_07_lap_dia_1.1_rep_2B+ACE.ace Si']}
+parameters = {
+ "pair_style": "pace",
+ "pair_coeff": ["* * Si_B8_N4_18_07_lap_dia_1.1_rep_2B+ACE.ace Si"],
+}
files = [os.path.join(model_dir, "Si_B8_N4_18_07_lap_dia_1.1_rep_2B+ACE.ace")]
calculator = LAMMPS(parameters=parameters, files=files)
-name="ACE"
+name = "ACE"
no_checkpoint = True
diff --git a/example_models/Si/models/pACE_B8_N4_18_07_lap_dia_1.2/Si_B8_N4_18_07_lap_dia_1.2_rep_2B+ACE.ace b/testingframework/example_models/Si/models/pACE_B8_N4_18_07_lap_dia_1.2/Si_B8_N4_18_07_lap_dia_1.2_rep_2B+ACE.ace
similarity index 100%
rename from example_models/Si/models/pACE_B8_N4_18_07_lap_dia_1.2/Si_B8_N4_18_07_lap_dia_1.2_rep_2B+ACE.ace
rename to testingframework/example_models/Si/models/pACE_B8_N4_18_07_lap_dia_1.2/Si_B8_N4_18_07_lap_dia_1.2_rep_2B+ACE.ace
diff --git a/example_models/Si/models/pACE_B8_N4_18_07_lap_dia_1.2/model.py b/testingframework/example_models/Si/models/pACE_B8_N4_18_07_lap_dia_1.2/model.py
similarity index 56%
rename from example_models/Si/models/pACE_B8_N4_18_07_lap_dia_1.2/model.py
rename to testingframework/example_models/Si/models/pACE_B8_N4_18_07_lap_dia_1.2/model.py
index 3f0d0ce17..91bf28c01 100644
--- a/example_models/Si/models/pACE_B8_N4_18_07_lap_dia_1.2/model.py
+++ b/testingframework/example_models/Si/models/pACE_B8_N4_18_07_lap_dia_1.2/model.py
@@ -1,17 +1,19 @@
import os
from ase.calculators.lammpsrun import LAMMPS
-os.environ["ASE_LAMMPSRUN_COMMAND"]="/Users/Cas/gits/lammps-ace/src/lmp_serial"
+os.environ["ASE_LAMMPSRUN_COMMAND"] = "/Users/Cas/gits/lammps-ace/src/lmp_serial"
model_dir = os.path.dirname(os.path.realpath(__file__))
-parameters = {'pair_style': 'pace',
- 'pair_coeff': ['* * Si_B8_N4_18_07_lap_dia_1.2_rep_2B+ACE.ace Si']}
+parameters = {
+ "pair_style": "pace",
+ "pair_coeff": ["* * Si_B8_N4_18_07_lap_dia_1.2_rep_2B+ACE.ace Si"],
+}
files = [os.path.join(model_dir, "Si_B8_N4_18_07_lap_dia_1.2_rep_2B+ACE.ace")]
calculator = LAMMPS(parameters=parameters, files=files)
-name="ACE"
+name = "ACE"
no_checkpoint = True
diff --git a/example_models/Si/run_dir/CASTEP_ASE_Si_bulk.pdf b/testingframework/example_models/Si/run_dir/CASTEP_ASE_Si_bulk.pdf
similarity index 100%
rename from example_models/Si/run_dir/CASTEP_ASE_Si_bulk.pdf
rename to testingframework/example_models/Si/run_dir/CASTEP_ASE_Si_bulk.pdf
diff --git a/example_models/Si/run_dir/GAP_Si_bulk.pdf b/testingframework/example_models/Si/run_dir/GAP_Si_bulk.pdf
similarity index 100%
rename from example_models/Si/run_dir/GAP_Si_bulk.pdf
rename to testingframework/example_models/Si/run_dir/GAP_Si_bulk.pdf
diff --git a/example_models/Si/run_dir/RSS.pdf b/testingframework/example_models/Si/run_dir/RSS.pdf
similarity index 100%
rename from example_models/Si/run_dir/RSS.pdf
rename to testingframework/example_models/Si/run_dir/RSS.pdf
diff --git a/example_models/Si/run_dir/RSS_random.pdf b/testingframework/example_models/Si/run_dir/RSS_random.pdf
similarity index 100%
rename from example_models/Si/run_dir/RSS_random.pdf
rename to testingframework/example_models/Si/run_dir/RSS_random.pdf
diff --git a/example_models/Si/run_dir/Si-model-ACE_B8_N4_18_lap_1.1-test-RSS-properties.json b/testingframework/example_models/Si/run_dir/Si-model-ACE_B8_N4_18_lap_1.1-test-RSS-properties.json
similarity index 100%
rename from example_models/Si/run_dir/Si-model-ACE_B8_N4_18_lap_1.1-test-RSS-properties.json
rename to testingframework/example_models/Si/run_dir/Si-model-ACE_B8_N4_18_lap_1.1-test-RSS-properties.json
diff --git a/example_models/Si/run_dir/Si-model-ACE_B8_N4_18_lap_1.1-test-RSS.txt b/testingframework/example_models/Si/run_dir/Si-model-ACE_B8_N4_18_lap_1.1-test-RSS.txt
similarity index 100%
rename from example_models/Si/run_dir/Si-model-ACE_B8_N4_18_lap_1.1-test-RSS.txt
rename to testingframework/example_models/Si/run_dir/Si-model-ACE_B8_N4_18_lap_1.1-test-RSS.txt
diff --git a/example_models/Si/run_dir/Si-model-ACE_B8_N4_18_lap_1.1-test-bulk_Si_diamond-properties.json b/testingframework/example_models/Si/run_dir/Si-model-ACE_B8_N4_18_lap_1.1-test-bulk_Si_diamond-properties.json
similarity index 100%
rename from example_models/Si/run_dir/Si-model-ACE_B8_N4_18_lap_1.1-test-bulk_Si_diamond-properties.json
rename to testingframework/example_models/Si/run_dir/Si-model-ACE_B8_N4_18_lap_1.1-test-bulk_Si_diamond-properties.json
diff --git a/example_models/Si/run_dir/Si-model-ACE_B8_N4_18_lap_1.1-test-bulk_Si_diamond-relaxed.xyz b/testingframework/example_models/Si/run_dir/Si-model-ACE_B8_N4_18_lap_1.1-test-bulk_Si_diamond-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/Si-model-ACE_B8_N4_18_lap_1.1-test-bulk_Si_diamond-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/Si-model-ACE_B8_N4_18_lap_1.1-test-bulk_Si_diamond-relaxed.xyz
diff --git a/example_models/Si/run_dir/Si-model-ACE_B8_N4_18_lap_1.1-test-bulk_Si_diamond.txt b/testingframework/example_models/Si/run_dir/Si-model-ACE_B8_N4_18_lap_1.1-test-bulk_Si_diamond.txt
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rename from example_models/Si/run_dir/Si-model-ACE_B8_N4_18_lap_1.1-test-bulk_Si_diamond.txt
rename to testingframework/example_models/Si/run_dir/Si-model-ACE_B8_N4_18_lap_1.1-test-bulk_Si_diamond.txt
diff --git a/example_models/Si/run_dir/Si-model-ACE_B8_N4_18_lap_1.1-test-gap_6_rss_like_open_ended_minima_rerelax_sd2-properties.json b/testingframework/example_models/Si/run_dir/Si-model-ACE_B8_N4_18_lap_1.1-test-gap_6_rss_like_open_ended_minima_rerelax_sd2-properties.json
similarity index 100%
rename from example_models/Si/run_dir/Si-model-ACE_B8_N4_18_lap_1.1-test-gap_6_rss_like_open_ended_minima_rerelax_sd2-properties.json
rename to testingframework/example_models/Si/run_dir/Si-model-ACE_B8_N4_18_lap_1.1-test-gap_6_rss_like_open_ended_minima_rerelax_sd2-properties.json
diff --git a/example_models/Si/run_dir/Si-model-ACE_B8_N4_18_lap_1.1-test-gap_6_rss_like_open_ended_minima_rerelax_sd2.txt b/testingframework/example_models/Si/run_dir/Si-model-ACE_B8_N4_18_lap_1.1-test-gap_6_rss_like_open_ended_minima_rerelax_sd2.txt
similarity index 100%
rename from example_models/Si/run_dir/Si-model-ACE_B8_N4_18_lap_1.1-test-gap_6_rss_like_open_ended_minima_rerelax_sd2.txt
rename to testingframework/example_models/Si/run_dir/Si-model-ACE_B8_N4_18_lap_1.1-test-gap_6_rss_like_open_ended_minima_rerelax_sd2.txt
diff --git a/example_models/Si/run_dir/Si-model-ACE_B8_N4_18_lap_1.1-test-phonon_bulks-properties.json b/testingframework/example_models/Si/run_dir/Si-model-ACE_B8_N4_18_lap_1.1-test-phonon_bulks-properties.json
similarity index 100%
rename from example_models/Si/run_dir/Si-model-ACE_B8_N4_18_lap_1.1-test-phonon_bulks-properties.json
rename to testingframework/example_models/Si/run_dir/Si-model-ACE_B8_N4_18_lap_1.1-test-phonon_bulks-properties.json
diff --git a/example_models/Si/run_dir/Si-model-ACE_B8_N4_18_lap_1.1-test-phonon_bulks.txt b/testingframework/example_models/Si/run_dir/Si-model-ACE_B8_N4_18_lap_1.1-test-phonon_bulks.txt
similarity index 100%
rename from example_models/Si/run_dir/Si-model-ACE_B8_N4_18_lap_1.1-test-phonon_bulks.txt
rename to testingframework/example_models/Si/run_dir/Si-model-ACE_B8_N4_18_lap_1.1-test-phonon_bulks.txt
diff --git a/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_bc8-properties.json b/testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_bc8-properties.json
similarity index 100%
rename from example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_bc8-properties.json
rename to testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_bc8-properties.json
diff --git a/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_bc8-relaxed.xyz b/testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_bc8-relaxed.xyz
similarity index 100%
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rename to testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_bc8-relaxed.xyz
diff --git a/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_bcc-properties.json b/testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_bcc-properties.json
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rename to testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_bcc-properties.json
diff --git a/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_bcc-relaxed.xyz b/testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_bcc-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_bcc-relaxed.xyz
diff --git a/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_beta-Sn-properties.json b/testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_beta-Sn-properties.json
similarity index 100%
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rename to testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_beta-Sn-properties.json
diff --git a/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_beta-Sn-relaxed.xyz b/testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_beta-Sn-relaxed.xyz
similarity index 100%
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rename to testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_beta-Sn-relaxed.xyz
diff --git a/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_diamond-properties.json b/testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_diamond-properties.json
similarity index 100%
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rename to testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_diamond-properties.json
diff --git a/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_diamond-relaxed.xyz b/testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_diamond-relaxed.xyz
similarity index 100%
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diff --git a/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_fcc-properties.json b/testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_fcc-properties.json
similarity index 100%
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rename to testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_fcc-properties.json
diff --git a/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_fcc-relaxed.xyz b/testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_fcc-relaxed.xyz
similarity index 100%
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rename to testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_fcc-relaxed.xyz
diff --git a/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_hcp-properties.json b/testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_hcp-properties.json
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rename to testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_hcp-properties.json
diff --git a/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_hcp-relaxed.xyz b/testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_hcp-relaxed.xyz
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diff --git a/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_hcp_sf-properties.json b/testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_hcp_sf-properties.json
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diff --git a/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_hcp_sf-relaxed.xyz b/testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_hcp_sf-relaxed.xyz
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diff --git a/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_hexagonal_diamond-properties.json b/testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_hexagonal_diamond-properties.json
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diff --git a/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_hexagonal_diamond-relaxed.xyz b/testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_hexagonal_diamond-relaxed.xyz
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diff --git a/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_sh-properties.json b/testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_sh-properties.json
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diff --git a/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_simple_hexagonal-properties.json b/testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_simple_hexagonal-properties.json
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diff --git a/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_simple_hexagonal-relaxed.xyz b/testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_simple_hexagonal-relaxed.xyz
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diff --git a/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_st12-properties.json b/testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_st12-properties.json
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diff --git a/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_st12-relaxed copy.xyz b/testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_st12-relaxed copy.xyz
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diff --git a/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_st12-relaxed.xyz b/testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_Si_st12-relaxed.xyz
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diff --git a/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_bc8-properties.json b/testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_bc8-properties.json
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diff --git a/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_bcc-properties.json b/testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_bcc-properties.json
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diff --git a/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_st12-properties.json b/testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-bulk_st12-properties.json
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diff --git a/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-gap_6_rss_like_open_ended_minima_rerelax_sd2-properties.json b/testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-gap_6_rss_like_open_ended_minima_rerelax_sd2-properties.json
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diff --git a/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-phonon_bulks-properties.json b/testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-phonon_bulks-properties.json
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diff --git a/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-point_defect_Si_diamond_interstitial_dumb-properties.json b/testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-point_defect_Si_diamond_interstitial_dumb-properties.json
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diff --git a/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-point_defect_Si_diamond_interstitial_hex-properties.json b/testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-point_defect_Si_diamond_interstitial_hex-properties.json
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diff --git a/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-point_defect_Si_diamond_interstitial_tetr-properties.json b/testingframework/example_models/Si/run_dir/Si-model-CASTEP_ASE-test-point_defect_Si_diamond_interstitial_tetr-properties.json
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diff --git a/example_models/Si/run_dir/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-properties.json b/testingframework/example_models/Si/run_dir/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-properties.json
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0068_lbfgs_traj.03.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0068_lbfgs_traj.03.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0068_sd2_traj.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0068_sd2_traj.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0072_sd2_traj.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0072_sd2_traj.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0074_lbfgs_traj.00.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0074_lbfgs_traj.00.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0074_sd2_traj.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0074_sd2_traj.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0076_lbfgs_traj.00.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0076_lbfgs_traj.00.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0076_lbfgs_traj.01.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0076_lbfgs_traj.01.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0076_lbfgs_traj.02.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0076_lbfgs_traj.02.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0076_lbfgs_traj.03.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0076_lbfgs_traj.03.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0076_lbfgs_traj.04.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0076_lbfgs_traj.04.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0076_lbfgs_traj.05.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0076_lbfgs_traj.05.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0076_lbfgs_traj.06.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0076_lbfgs_traj.06.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0076_lbfgs_traj.07.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0076_lbfgs_traj.07.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0076_lbfgs_traj.08.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0076_lbfgs_traj.08.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0076_lbfgs_traj.09.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0076_lbfgs_traj.09.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0076_lbfgs_traj.10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0076_lbfgs_traj.10.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0076_lbfgs_traj.11.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0076_lbfgs_traj.11.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0076_sd2_traj.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0076_sd2_traj.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0078_lbfgs_traj.00.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0078_lbfgs_traj.00.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0078_lbfgs_traj.01.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0078_lbfgs_traj.01.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0078_lbfgs_traj.02.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0078_lbfgs_traj.02.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0078_lbfgs_traj.03.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0078_lbfgs_traj.03.extxyz
similarity index 100%
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0078_lbfgs_traj.04.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0078_lbfgs_traj.04.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0078_lbfgs_traj.05.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0078_lbfgs_traj.05.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0078_lbfgs_traj.06.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0078_lbfgs_traj.06.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0078_lbfgs_traj.08.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0078_lbfgs_traj.08.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0078_lbfgs_traj.09.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0078_lbfgs_traj.09.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0078_lbfgs_traj.11.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0078_lbfgs_traj.11.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0078_lbfgs_traj.12.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0078_lbfgs_traj.12.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0078_lbfgs_traj.13.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0078_lbfgs_traj.13.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0078_lbfgs_traj.14.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0078_lbfgs_traj.14.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0078_lbfgs_traj.15.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0078_lbfgs_traj.15.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0078_lbfgs_traj.16.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0078_lbfgs_traj.16.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0078_lbfgs_traj.17.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0078_lbfgs_traj.17.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0078_lbfgs_traj.18.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0078_lbfgs_traj.18.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0078_sd2_traj.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0078_sd2_traj.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0082_sd2_traj.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0082_sd2_traj.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0084_lbfgs_traj.00.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0084_lbfgs_traj.00.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0084_lbfgs_traj.01.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0084_lbfgs_traj.01.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0084_sd2_traj.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0084_sd2_traj.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0086_lbfgs_traj.00.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0086_lbfgs_traj.00.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0086_lbfgs_traj.01.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0086_lbfgs_traj.01.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0086_lbfgs_traj.02.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0086_lbfgs_traj.02.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0086_lbfgs_traj.03.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0086_lbfgs_traj.03.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0086_lbfgs_traj.04.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0086_lbfgs_traj.04.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0086_lbfgs_traj.05.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0086_lbfgs_traj.05.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0086_lbfgs_traj.06.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0086_lbfgs_traj.06.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0086_lbfgs_traj.07.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0086_lbfgs_traj.07.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0086_lbfgs_traj.08.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0086_lbfgs_traj.08.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0086_lbfgs_traj.09.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_09_lap_1.5_rep-test-RSS/RSS_0086_lbfgs_traj.09.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_lap_1.1-test-bulk_Si_diamond/Si-model-ACE_B8_N4_18_lap_1.1-test-bulk_Si_diamond-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-ACE_B8_N4_18_lap_1.1-test-bulk_Si_diamond/Si-model-ACE_B8_N4_18_lap_1.1-test-bulk_Si_diamond-E_vs_V_000-unrelaxed.xyz
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similarity index 100%
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similarity index 100%
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similarity index 100%
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similarity index 100%
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similarity index 100%
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similarity index 100%
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similarity index 100%
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similarity index 100%
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similarity index 100%
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similarity index 100%
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similarity index 100%
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diff --git a/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz
similarity index 100%
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rename to testingframework/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz
similarity index 100%
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diff --git a/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz
similarity index 100%
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similarity index 100%
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diff --git a/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz
similarity index 100%
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similarity index 100%
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diff --git a/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz
similarity index 100%
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similarity index 100%
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diff --git a/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz
similarity index 100%
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diff --git a/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/Si-model-GAP-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-GAP-test-bulk_Si_hexagonal_diamond/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_03.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_03.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_04.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_04.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_06.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_06.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_07.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_07.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_08.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_08.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_09.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_09.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-01-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-01-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-02-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-02-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-03-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-03-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-04-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-04-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-05-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-05-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-06-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-06-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-07-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-07-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_06-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_07-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_07-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_08-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_08-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_09-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_09-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_10-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-E_vs_V_10-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn-bulk-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_beta-Sn/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/E_vs_V_traj_-1.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/E_vs_V_traj_08.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/E_vs_V_traj_08.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/E_vs_V_traj_09.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/E_vs_V_traj_09.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_-01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_-01-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_-02-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_-03-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_-04-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_-04-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_-05-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_-05-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_-06-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_-06-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_-07-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_-07-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_-08-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_-09-relaxed.xyz
similarity index 100%
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_03-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_04-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_05-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_05-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_09-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_10-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-E_vs_V_10-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond-bulk-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_diamond/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-8.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-8.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_00.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_00.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_01.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_01.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_02.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_02.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_03.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_03.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_04.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_04.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_05.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_05.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_06.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_06.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_08.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_08.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_09.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_09.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_10.extxyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_10.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_10.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_hexagonal_diamond/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-1.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-10.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-2.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-2.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-7.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-7.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-8.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-8.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/E_vs_V_traj_00.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/E_vs_V_traj_00.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/E_vs_V_traj_01.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/E_vs_V_traj_01.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/E_vs_V_traj_02.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/E_vs_V_traj_02.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/E_vs_V_traj_03.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/E_vs_V_traj_03.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/E_vs_V_traj_04.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/E_vs_V_traj_04.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/E_vs_V_traj_05.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/E_vs_V_traj_05.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/E_vs_V_traj_06.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/E_vs_V_traj_06.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/E_vs_V_traj_07.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/E_vs_V_traj_07.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/E_vs_V_traj_08.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/E_vs_V_traj_08.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/E_vs_V_traj_09.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/E_vs_V_traj_09.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/E_vs_V_traj_10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/E_vs_V_traj_10.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-01-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-bulk-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-bulk-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal-bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/lattice_bulk_traj.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/lattice_bulk_traj.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-bulk_Si_simple_hexagonal/lattice_bulk_traj.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_interstitial_hex-Z_14-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_interstitial_hex-Z_14-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_interstitial_hex-Z_14-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_interstitial_hex-relaxed_bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_interstitial_hex-relaxed_bulk-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_interstitial_hex-relaxed_bulk-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_interstitial_hex-relaxed_bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_interstitial_tetr-Z_14-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_interstitial_tetr-Z_14-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_interstitial_tetr-Z_14-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_interstitial_tetr-Z_14-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_interstitial_tetr-relaxed_bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_interstitial_tetr-relaxed_bulk-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_interstitial_tetr-relaxed_bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_vacancy-ind_0_Z_14-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_vacancy-ind_0_Z_14-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_vacancy-ind_0_Z_14-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_vacancy-ind_0_Z_14-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_vacancy-rescaled_bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_vacancy-rescaled_bulk-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_vacancy-rescaled_bulk-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_lap_1.05-test-point_defect_Si_diamond_vacancy-rescaled_bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-surface-decohesion-100-unrelaxed/decoh_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-surface-decohesion-100-unrelaxed/decoh_traj.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-surface-decohesion-100-unrelaxed/decoh_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-surface_Si_diamond_100/Si-model-pACE_B8_N4_18_07_lap_1.05-test-surface_Si_diamond_100-surface-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-surface_Si_diamond_100/Si-model-pACE_B8_N4_18_07_lap_1.05-test-surface_Si_diamond_100-surface-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-surface_Si_diamond_100/Si-model-pACE_B8_N4_18_07_lap_1.05-test-surface_Si_diamond_100-surface-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-surface_Si_diamond_110/Si-model-pACE_B8_N4_18_07_lap_1.05-test-surface_Si_diamond_110-surface-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-surface_Si_diamond_110/Si-model-pACE_B8_N4_18_07_lap_1.05-test-surface_Si_diamond_110-surface-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-surface_Si_diamond_110/Si-model-pACE_B8_N4_18_07_lap_1.05-test-surface_Si_diamond_110-surface-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-surface_Si_diamond_111/Si-model-pACE_B8_N4_18_07_lap_1.05-test-surface_Si_diamond_111-surface-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-surface_Si_diamond_111/Si-model-pACE_B8_N4_18_07_lap_1.05-test-surface_Si_diamond_111-surface-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-surface_Si_diamond_111/Si-model-pACE_B8_N4_18_07_lap_1.05-test-surface_Si_diamond_111-surface-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.05-test-surface_Si_diamond_111/Si-model-pACE_B8_N4_18_07_lap_1.05-test-surface_Si_diamond_111-surface-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-RSS/RSS_0000_lbfgs_traj.00.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-RSS/RSS_0000_lbfgs_traj.00.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-RSS/RSS_0000_lbfgs_traj.01.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-RSS/RSS_0000_lbfgs_traj.01.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-RSS/RSS_0000_lbfgs_traj.02.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-RSS/RSS_0000_lbfgs_traj.02.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-RSS/RSS_0000_sd2_traj.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-RSS/RSS_0000_sd2_traj.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-RSS/RSS_0002_lbfgs_traj.00.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-RSS/RSS_0002_lbfgs_traj.00.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-RSS/RSS_0002_sd2_traj.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-RSS/RSS_0002_sd2_traj.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-RSS/RSS_0004_lbfgs_traj.00.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-RSS/RSS_0004_lbfgs_traj.00.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-RSS/RSS_0004_lbfgs_traj.01.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-RSS/RSS_0004_lbfgs_traj.01.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc-E_vs_V_-10-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc-E_vs_V_000-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc-E_vs_V_01-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc-E_vs_V_02-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc-E_vs_V_03-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc-E_vs_V_04-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc-E_vs_V_04-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc-E_vs_V_05-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc-E_vs_V_05-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc-E_vs_V_06-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc-E_vs_V_06-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc-E_vs_V_07-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc-E_vs_V_08-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc-E_vs_V_08-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc-E_vs_V_09-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_bcc-E_vs_V_10-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-01-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-01-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-02-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-03-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-03-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-04-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-04-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-05-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-05-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-06-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-06-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-07-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-07-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-08-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-08-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_06-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_07-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_07-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_08-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_08-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_09-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_10-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_10-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn-bulk-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_beta-Sn/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/E_vs_V_traj_-1.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/E_vs_V_traj_-2.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/E_vs_V_traj_-2.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/E_vs_V_traj_07.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/E_vs_V_traj_07.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-01-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-01-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-02-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-06-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-07-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-07-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-08-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-09-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-10-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-10-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_000-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_000-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_01-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_01-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-bulk-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond-bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_diamond/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/E_vs_V_traj_-1.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_-04-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_-04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_-05-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_-05-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_-06-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_-06-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_-07-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_-07-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_-08-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_-08-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_-09-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_-09-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_-10-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_-10-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_000-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_000-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_01-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_01-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_02-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_02-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_03-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_03-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_04-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_04-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_05-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_05-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_06-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_06-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_07-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_07-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_08-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_08-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_09-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_09-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_10-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-E_vs_V_10-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc-bulk-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_fcc/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/E_vs_V_traj_-10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/E_vs_V_traj_-10.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/E_vs_V_traj_-2.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/E_vs_V_traj_-2.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/E_vs_V_traj_-3.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/E_vs_V_traj_-3.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/E_vs_V_traj_-4.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/E_vs_V_traj_-4.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_-06-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_-06-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_-07-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_-07-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_-08-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_-08-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_-09-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_-09-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_-10-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_-10-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_000-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_000-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_01-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_01-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_02-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_02-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_03-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_03-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_04-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_04-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_05-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_05-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_06-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_06-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_07-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_07-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_08-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_09-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_10-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp-E_vs_V_10-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf-E_vs_V_-01-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf-E_vs_V_-01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf-E_vs_V_-02-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf-E_vs_V_-02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf-E_vs_V_-02-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf-E_vs_V_-02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf-E_vs_V_-03-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf-E_vs_V_-03-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf-E_vs_V_-04-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf-E_vs_V_-04-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf-E_vs_V_-05-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf-E_vs_V_-05-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf-E_vs_V_-06-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf-E_vs_V_-06-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf-E_vs_V_-07-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf-E_vs_V_000-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf-E_vs_V_000-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf-bulk-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hcp_sf/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-1.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-10.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-2.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-2.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-3.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-3.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-4.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-4.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-5.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-5.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-relaxed.xyz
similarity index 100%
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz
similarity index 100%
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz
similarity index 100%
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz
similarity index 100%
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz
similarity index 100%
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz
similarity index 100%
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz
similarity index 100%
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz
similarity index 100%
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/lattice_bulk_traj.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/lattice_bulk_traj.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/lattice_bulk_traj.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-1.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-1.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-1.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-10.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-10.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-10.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-2.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-2.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-2.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-2.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-3.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-3.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-3.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-3.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-4.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-4.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-4.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-4.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-5.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-5.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-5.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-5.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-6.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-6.extxyz
similarity index 100%
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-01-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-02-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-03-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-04-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-04-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-05-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-05-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-bulk-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-bulk-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/lattice_bulk_traj.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/lattice_bulk_traj.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/lattice_bulk_traj.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/E_vs_V_traj_-1.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/E_vs_V_traj_-10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/E_vs_V_traj_-10.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/E_vs_V_traj_-2.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/E_vs_V_traj_-2.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/E_vs_V_traj_-3.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/E_vs_V_traj_-3.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/E_vs_V_traj_-4.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/E_vs_V_traj_-4.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/E_vs_V_traj_-5.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/E_vs_V_traj_-5.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/E_vs_V_traj_-6.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/E_vs_V_traj_-6.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/E_vs_V_traj_-7.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/E_vs_V_traj_-7.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-E_vs_V_-06-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-E_vs_V_-07-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-E_vs_V_-09-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-E_vs_V_-10-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-E_vs_V_000-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-E_vs_V_01-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-E_vs_V_02-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-E_vs_V_03-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-E_vs_V_05-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-E_vs_V_06-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-E_vs_V_06-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-E_vs_V_07-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-E_vs_V_07-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-E_vs_V_08-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-E_vs_V_08-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-E_vs_V_09-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-E_vs_V_09-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-E_vs_V_10-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-E_vs_V_10-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12-bulk-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-bulk_Si_st12/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_dumb/model-ACE-test-interstitial-dumbbell.opt.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_dumb/model-ACE-test-interstitial-dumbbell.opt.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_hex-Z_14-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_hex-Z_14-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_hex-relaxed_bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_hex-relaxed_bulk-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_hex-relaxed_bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr-Z_14-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr-Z_14-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr-Z_14-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr-relaxed_bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr-relaxed_bulk-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr-relaxed_bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_lap_1.1-test-point_defect_Si_diamond_vacancy-ind_0_Z_14-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_lap_1.1-test-point_defect_Si_diamond_vacancy-ind_0_Z_14-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_lap_1.1-test-point_defect_Si_diamond_vacancy-ind_0_Z_14-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_lap_1.1-test-point_defect_Si_diamond_vacancy-rescaled_bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_lap_1.1-test-point_defect_Si_diamond_vacancy-rescaled_bulk-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_lap_1.1-test-point_defect_Si_diamond_vacancy-rescaled_bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-surface-decohesion-100-unrelaxed/decoh_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-surface-decohesion-100-unrelaxed/decoh_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-surface_Si_diamond_100/Si-model-pACE_B8_N4_18_07_lap_1.1-test-surface_Si_diamond_100-surface-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-surface_Si_diamond_100/Si-model-pACE_B8_N4_18_07_lap_1.1-test-surface_Si_diamond_100-surface-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-surface_Si_diamond_111/Si-model-pACE_B8_N4_18_07_lap_1.1-test-surface_Si_diamond_111-surface-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1-test-surface_Si_diamond_111/Si-model-pACE_B8_N4_18_07_lap_1.1-test-surface_Si_diamond_111-surface-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_bc8/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_bc8-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_bc8/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_bc8-E_vs_V_000-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_-01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_-01-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_-01-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_-02-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_-02-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_-03-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_-04-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_-05-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_-06-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_-06-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_-07-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_-08-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_07-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_08-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_08-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_09-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_09-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_10-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-E_vs_V_10-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn-bulk-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_beta-Sn/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_-1.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_-10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_-10.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_-2.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_-2.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_-3.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_-3.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_-4.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_-4.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_-5.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_-5.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_-6.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_-6.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_-7.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_-7.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_-8.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_-8.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_-9.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_-9.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_00.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_00.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_01.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_01.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_02.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_02.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_03.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_03.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_04.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_04.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_05.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_05.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_06.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_06.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_07.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_07.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_07.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_08.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_08.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_08.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_08.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_09.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_09.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_09.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_09.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_10.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_10.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/E_vs_V_traj_10.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-01-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-01-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-02-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-02-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-03-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-03-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-04-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-04-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-05-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-05-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-06-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-06-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-07-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-07-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-08-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-09-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-10-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-10-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_000-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_000-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_01-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_01-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_02-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_02-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_03-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_03-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_04-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_05-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_05-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_09-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_09-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_10-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-E_vs_V_10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-bulk-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond-bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_diamond/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-1.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-1.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-10.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-10.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-2.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-2.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-2.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-3.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-3.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-3.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-4.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-4.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-4.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-5.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-5.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-5.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-6.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-6.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-6.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-7.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-7.extxyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-7.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-7.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-8.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-8.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-8.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-8.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-9.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-9.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-9.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-9.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_00.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_00.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_00.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_00.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_01.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_01.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_01.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_01.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_02.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_02.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_02.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_02.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_03.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_03.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_03.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_03.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_04.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_04.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_04.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_04.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_05.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_05.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_05.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_05.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_06.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_06.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_06.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_06.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_07.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_07.extxyz
similarity index 100%
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_07.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_08.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_08.extxyz
similarity index 100%
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_08.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_09.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_09.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_09.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_09.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_10.extxyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_10.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_10.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_hexagonal_diamond/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-1.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-10.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-10.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-2.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-2.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-3.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-3.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-3.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-4.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-4.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-4.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-5.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-5.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-5.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-6.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-6.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-6.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-7.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-7.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-7.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-8.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-8.extxyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-8.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-8.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-9.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-9.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-9.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_00.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_00.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_00.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_01.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_01.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_01.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_02.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_02.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_02.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_03.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_03.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_03.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_04.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_04.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_04.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_05.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_05.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_05.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_06.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_06.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_07.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_07.extxyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_07.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_07.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_08.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_08.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_08.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_09.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_09.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_09.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_10.extxyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_10.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_10.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-01-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal-bulk-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_simple_hexagonal/lattice_bulk_traj.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_-09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_-09-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_-10-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_-10-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_000-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_000-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_01-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_01-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_02-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_02-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_03-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_03-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_04-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_04-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_05-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_05-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_06-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_06-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_07-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_07-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_08-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_08-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_09-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_09-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_10-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-E_vs_V_10-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12-bulk-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-bulk_Si_st12/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-point_defect_Si_diamond_interstitial_dumb/model-ACE-test-interstitial-dumbbell.opt.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-point_defect_Si_diamond_interstitial_dumb/model-ACE-test-interstitial-dumbbell.opt.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-point_defect_Si_diamond_interstitial_hex-Z_14-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-point_defect_Si_diamond_interstitial_hex-Z_14-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-point_defect_Si_diamond_interstitial_hex-Z_14-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-point_defect_Si_diamond_interstitial_hex-relaxed_bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-point_defect_Si_diamond_interstitial_hex-relaxed_bulk-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-point_defect_Si_diamond_interstitial_tetr-Z_14-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-point_defect_Si_diamond_interstitial_tetr-Z_14-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-point_defect_Si_diamond_interstitial_tetr-relaxed_bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-point_defect_Si_diamond_interstitial_tetr-relaxed_bulk-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-point_defect_Si_diamond_vacancy-ind_0_Z_14-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-point_defect_Si_diamond_vacancy-ind_0_Z_14-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-point_defect_Si_diamond_vacancy-rescaled_bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-point_defect_Si_diamond_vacancy-rescaled_bulk-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-surface-decohesion-100-unrelaxed/decoh_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-surface-decohesion-100-unrelaxed/decoh_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-surface-energy-110-relaxed/model-ACE-surface-energy-110-relaxed.opt.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-surface-energy-110-relaxed/model-ACE-surface-energy-110-relaxed.opt.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-surface_Si_diamond_100/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-surface_Si_diamond_100-surface-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-surface_Si_diamond_100/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-surface_Si_diamond_100-surface-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-surface_Si_diamond_110/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-surface_Si_diamond_110-surface-energy-110-relaxed.opt.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-surface_Si_diamond_110/Si-model-pACE_B8_N4_18_07_lap_1.1_2-test-surface_Si_diamond_110-surface-energy-110-relaxed.opt.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-03-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-03-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-04-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-04-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-05-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-05-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-06-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-06-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-07-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-07-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-08-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-08-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_04-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_07-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_08-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_08-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_09-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_09-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_10-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-E_vs_V_10-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn-bulk-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_beta-Sn/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/E_vs_V_traj_-1.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/E_vs_V_traj_-10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/E_vs_V_traj_-10.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/E_vs_V_traj_-2.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/E_vs_V_traj_-2.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/E_vs_V_traj_-4.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/E_vs_V_traj_-4.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/E_vs_V_traj_-5.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/E_vs_V_traj_-5.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/E_vs_V_traj_-6.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/E_vs_V_traj_-6.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/E_vs_V_traj_-7.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/E_vs_V_traj_-7.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/E_vs_V_traj_-8.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/E_vs_V_traj_-8.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/E_vs_V_traj_00.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/E_vs_V_traj_00.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/E_vs_V_traj_01.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/E_vs_V_traj_01.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/E_vs_V_traj_02.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/E_vs_V_traj_02.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/E_vs_V_traj_03.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/E_vs_V_traj_03.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/E_vs_V_traj_04.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/E_vs_V_traj_04.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/E_vs_V_traj_05.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/E_vs_V_traj_05.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/E_vs_V_traj_06.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/E_vs_V_traj_06.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/E_vs_V_traj_07.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/E_vs_V_traj_07.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/E_vs_V_traj_08.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/E_vs_V_traj_08.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/E_vs_V_traj_09.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/E_vs_V_traj_09.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/E_vs_V_traj_10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/E_vs_V_traj_10.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-01-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-01-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-02-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-03-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-03-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-04-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-04-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-05-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-05-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-06-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-06-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-07-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-07-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-08-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-09-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-10-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-10-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_000-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_000-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_01-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_01-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_02-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_02-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_03-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_03-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_04-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_05-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_05-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_09-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_09-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_10-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_10-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-E_vs_V_10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond-bulk-relaxed.xyz
similarity index 100%
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_diamond/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-1.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-10.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-2.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-2.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-7.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-7.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-8.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-8.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_00.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_00.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_01.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_01.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_02.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_02.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_03.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_03.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_04.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_04.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_05.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_05.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_06.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_06.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_07.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_07.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_08.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_08.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_09.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_09.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_10.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz
similarity index 100%
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_hexagonal_diamond/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-1.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-10.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-2.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-2.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-5.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-5.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-6.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-6.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/E_vs_V_traj_00.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/E_vs_V_traj_00.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/E_vs_V_traj_01.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/E_vs_V_traj_01.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/E_vs_V_traj_02.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/E_vs_V_traj_02.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/E_vs_V_traj_03.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/E_vs_V_traj_03.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/E_vs_V_traj_04.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/E_vs_V_traj_04.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/E_vs_V_traj_05.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/E_vs_V_traj_05.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/E_vs_V_traj_06.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/E_vs_V_traj_06.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/E_vs_V_traj_08.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/E_vs_V_traj_08.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/E_vs_V_traj_09.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/E_vs_V_traj_09.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/E_vs_V_traj_10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/E_vs_V_traj_10.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-01-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal-bulk-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-bulk_Si_simple_hexagonal/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-point_defect_Si_diamond_interstitial_dumb/model-ACE-test-interstitial-dumbbell.opt.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-point_defect_Si_diamond_interstitial_dumb/model-ACE-test-interstitial-dumbbell.opt.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-point_defect_Si_diamond_interstitial_hex-Z_14-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-point_defect_Si_diamond_interstitial_hex-Z_14-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-point_defect_Si_diamond_interstitial_hex-Z_14-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-point_defect_Si_diamond_interstitial_hex-relaxed_bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-point_defect_Si_diamond_interstitial_hex-relaxed_bulk-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-point_defect_Si_diamond_interstitial_tetr-Z_14-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-point_defect_Si_diamond_interstitial_tetr-Z_14-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-point_defect_Si_diamond_interstitial_tetr-Z_14-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-point_defect_Si_diamond_interstitial_tetr-relaxed_bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-point_defect_Si_diamond_interstitial_tetr-relaxed_bulk-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-point_defect_Si_diamond_vacancy-ind_0_Z_14-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-point_defect_Si_diamond_vacancy-ind_0_Z_14-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-point_defect_Si_diamond_vacancy-ind_0_Z_14-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-point_defect_Si_diamond_vacancy-rescaled_bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-point_defect_Si_diamond_vacancy-rescaled_bulk-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-point_defect_Si_diamond_vacancy-rescaled_bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-surface-decohesion-100-unrelaxed/decoh_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-surface-decohesion-100-unrelaxed/decoh_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-surface-energy-110-relaxed/model-ACE-surface-energy-110-relaxed.opt.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-surface-energy-110-relaxed/model-ACE-surface-energy-110-relaxed.opt.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-surface_Si_diamond_100/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-surface_Si_diamond_100-surface-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-surface_Si_diamond_100/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-surface_Si_diamond_100-surface-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-surface_Si_diamond_110/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-surface_Si_diamond_110-surface-energy-110-relaxed.opt.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-surface_Si_diamond_110/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-surface_Si_diamond_110-surface-energy-110-relaxed.opt.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-surface_Si_diamond_110/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-surface_Si_diamond_110-surface-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-surface_Si_diamond_110/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-surface_Si_diamond_110-surface-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-surface_Si_diamond_111/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-surface_Si_diamond_111-surface-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-surface_Si_diamond_111/Si-model-pACE_B8_N4_18_07_lap_1.1_3-test-surface_Si_diamond_111-surface-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/E_vs_V_traj_-1.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_04-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_06-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_09-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_10-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-E_vs_V_10-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-bulk-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn-bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_beta-Sn/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/E_vs_V_traj_-1.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/E_vs_V_traj_-10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/E_vs_V_traj_-10.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/E_vs_V_traj_-2.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/E_vs_V_traj_-2.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-01-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-02-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-03-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-04-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-05-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-05-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-06-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-06-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-07-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-07-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-08-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-09-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-10-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-10-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_000-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_000-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_01-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_01-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_02-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_02-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_03-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_03-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_04-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_05-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_05-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_09-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_09-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_10-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_10-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-E_vs_V_10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-bulk-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-bulk-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond-bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/lattice_bulk_traj.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/lattice_bulk_traj.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_diamond/lattice_bulk_traj.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-1.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-1.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-1.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-10.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-10.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-10.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-2.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-2.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-2.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-2.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-3.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-3.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-3.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-3.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-4.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-4.extxyz
similarity index 100%
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-5.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-5.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-7.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-7.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-8.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-8.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-9.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-9.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_00.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_00.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_02.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_02.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_03.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_03.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_04.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_04.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_09.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_09.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_10.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz
similarity index 100%
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/lattice_bulk_traj.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/lattice_bulk_traj.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_hexagonal_diamond/lattice_bulk_traj.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-1.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-1.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-1.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-10.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-10.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-2.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-2.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-bulk-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-bulk-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal-bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/lattice_bulk_traj.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/lattice_bulk_traj.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-bulk_Si_simple_hexagonal/lattice_bulk_traj.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-point_defect_Si_diamond_interstitial_dumb/model-ACE-test-interstitial-dumbbell.opt.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-point_defect_Si_diamond_interstitial_dumb/model-ACE-test-interstitial-dumbbell.opt.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-point_defect_Si_diamond_interstitial_hex-Z_14-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-point_defect_Si_diamond_interstitial_hex-Z_14-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-point_defect_Si_diamond_interstitial_tetr-relaxed_bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-point_defect_Si_diamond_interstitial_tetr-relaxed_bulk-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-point_defect_Si_diamond_vacancy-ind_0_Z_14-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-point_defect_Si_diamond_vacancy-ind_0_Z_14-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-surface_Si_diamond_111/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-surface_Si_diamond_111-surface-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-surface_Si_diamond_111/Si-model-pACE_B8_N4_18_07_lap_1.1_4-test-surface_Si_diamond_111-surface-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_-07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_-07-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_-08-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_-08-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_04-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_06-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_07-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_07-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_08-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_09-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_09-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_10-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-E_vs_V_10-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn-bulk-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_beta-Sn/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/E_vs_V_traj_-1.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/E_vs_V_traj_-2.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/E_vs_V_traj_-2.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/E_vs_V_traj_-5.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/E_vs_V_traj_-5.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/E_vs_V_traj_-7.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/E_vs_V_traj_-7.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/E_vs_V_traj_-8.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/E_vs_V_traj_-8.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/E_vs_V_traj_00.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/E_vs_V_traj_00.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/E_vs_V_traj_01.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/E_vs_V_traj_01.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-01-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-01-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-02-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-03-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-04-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-04-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-05-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-05-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-06-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-06-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-07-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-07-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-08-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-09-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-10-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-10-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_000-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_000-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_01-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_01-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_02-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_02-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_03-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_03-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_04-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_05-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_05-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_09-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_10-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-E_vs_V_10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-bulk-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-bulk-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond-bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_diamond/lattice_bulk_traj.xyz
similarity index 100%
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-1.extxyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-1.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-1.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-10.extxyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-10.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-10.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-2.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-2.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-2.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-3.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-3.extxyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-3.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-3.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-4.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-4.extxyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-4.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-4.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-5.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-5.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-5.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-5.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-6.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-6.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-6.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-6.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-7.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-7.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-7.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-7.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-8.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-8.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-8.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-8.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-9.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-9.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-9.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-9.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_00.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_00.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_00.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_00.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_01.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_01.extxyz
similarity index 100%
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_01.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_02.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_02.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_02.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_03.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_03.extxyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_03.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_03.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_04.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_04.extxyz
similarity index 100%
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_04.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_05.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_05.extxyz
similarity index 100%
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_05.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_06.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_06.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_06.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_06.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_07.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_07.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_07.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_07.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_08.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_08.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_08.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_08.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_09.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_09.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_09.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_09.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_10.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_10.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_10.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/lattice_bulk_traj.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/lattice_bulk_traj.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_hexagonal_diamond/lattice_bulk_traj.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-1.extxyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-1.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-1.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-10.extxyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-10.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-10.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-2.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-2.extxyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-2.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-2.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-3.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-3.extxyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-3.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-3.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-4.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-4.extxyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-4.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-4.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-5.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-5.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-5.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-5.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-6.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-6.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-6.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-6.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-7.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-7.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-7.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-7.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-8.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-8.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-8.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-8.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-9.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-9.extxyz
similarity index 100%
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-9.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-01-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-01-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-02-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-02-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-03-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-03-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-04-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-04-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-05-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-05-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-bulk-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-bulk-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal-bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/lattice_bulk_traj.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/lattice_bulk_traj.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-bulk_Si_simple_hexagonal/lattice_bulk_traj.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-point_defect_Si_diamond_interstitial_hex-Z_14-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-point_defect_Si_diamond_interstitial_hex-Z_14-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-point_defect_Si_diamond_interstitial_hex-Z_14-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-point_defect_Si_diamond_interstitial_hex-Z_14-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-point_defect_Si_diamond_interstitial_hex-relaxed_bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-point_defect_Si_diamond_interstitial_hex-relaxed_bulk-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-point_defect_Si_diamond_interstitial_hex-relaxed_bulk-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-point_defect_Si_diamond_interstitial_hex-relaxed_bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-point_defect_Si_diamond_interstitial_tetr-Z_14-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-point_defect_Si_diamond_interstitial_tetr-Z_14-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-point_defect_Si_diamond_interstitial_tetr-Z_14-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-point_defect_Si_diamond_interstitial_tetr-Z_14-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-point_defect_Si_diamond_interstitial_tetr-relaxed_bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-point_defect_Si_diamond_interstitial_tetr-relaxed_bulk-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-point_defect_Si_diamond_interstitial_tetr-relaxed_bulk-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-point_defect_Si_diamond_interstitial_tetr-relaxed_bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-point_defect_Si_diamond_vacancy-ind_0_Z_14-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_lap_1.1_5-test-point_defect_Si_diamond_vacancy-ind_0_Z_14-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-01-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-01-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-02-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-02-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-03-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-03-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-04-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-04-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-05-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-05-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-06-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-06-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-07-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-07-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-08-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-08-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-09-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-09-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-10-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_-10-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.2_2-test-bulk_Si_st12-E_vs_V_05-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12-E_vs_V_-07-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12-E_vs_V_-08-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12-E_vs_V_-08-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12-E_vs_V_-09-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12-E_vs_V_-09-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12-E_vs_V_-10-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12-E_vs_V_-10-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12-E_vs_V_000-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12-E_vs_V_000-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12-E_vs_V_01-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12-E_vs_V_01-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12-E_vs_V_02-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12-E_vs_V_02-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12-E_vs_V_03-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12-E_vs_V_03-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-bulk_Si_st12-E_vs_V_04-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-surface_Si_diamond_110/Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-surface_Si_diamond_110-surface-energy-110-relaxed.opt.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-surface_Si_diamond_110/Si-model-pACE_B8_N4_18_07_lap_1.3_2-test-surface_Si_diamond_110-surface-energy-110-relaxed.opt.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-01-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-01-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-02-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-02-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-03-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-03-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-04-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-04-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-05-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-05-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-06-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-06-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-07-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-07-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-08-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-08-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-09-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-09-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-10-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_000-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_000-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_01-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_bcc-E_vs_V_09-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-01-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-01-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-04-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-04-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-05-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-05-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-06-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-07-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-07-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-08-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-08-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_07-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_09-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_09-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_10-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-E_vs_V_10-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn-bulk-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_beta-Sn/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_-1.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_-10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_-10.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_-2.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_-2.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_-3.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_-3.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_-4.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_-4.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_-5.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_-5.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_-7.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_-7.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_-8.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_-8.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_-9.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_-9.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_00.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_00.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_01.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_01.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_02.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_02.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_03.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_03.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_04.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_04.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_05.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_05.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_06.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_06.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_07.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_07.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_08.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_08.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_09.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_09.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/E_vs_V_traj_10.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-01-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-06-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_000-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_000-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_01-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_diamond-E_vs_V_09-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_000-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_000-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_01-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_09-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_10-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-E_vs_V_10-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_fcc-bulk-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_000-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_000-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_01-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_10-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-E_vs_V_10-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp-bulk-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-02-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-02-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-03-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-04-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-05-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-05-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-07-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-08-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-08-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-09-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-09-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-10-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-10-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_000-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_000-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_01-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_09-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_09-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_10-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_10-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-E_vs_V_10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf-bulk-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hcp_sf/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-1.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-10.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-2.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-2.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-5.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-5.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-6.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-6.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-7.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-7.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-8.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-8.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-9.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-9.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-9.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_00.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_00.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_00.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_01.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_01.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_02.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_02.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_02.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_03.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_03.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_04.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_04.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_05.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_05.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_06.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_06.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_07.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_07.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_08.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_08.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_09.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_09.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_10.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_10.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_hexagonal_diamond/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-1.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-10.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-2.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-2.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-3.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-3.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-4.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-4.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-5.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-5.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-6.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-6.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-7.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-7.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-8.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-8.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-8.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-9.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-9.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-9.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_00.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_00.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_00.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_01.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_01.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_01.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_02.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_02.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_02.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_03.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_03.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_03.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_04.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_04.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_05.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_05.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_06.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_06.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_07.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_07.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_08.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_08.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_08.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_09.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_09.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_09.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_10.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_10.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-01-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-01-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-02-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-02-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-03-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-03-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-04-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-04-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-05-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-05-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_simple_hexagonal-bulk-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_-09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_-10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_-10-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_000-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_000-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_01-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_01-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_02-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_02-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_03-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_03-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_04-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_04-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_05-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_05-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_06-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_06-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_07-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_08-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_09-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_10-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-E_vs_V_10-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-bulk-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-bulk-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12-bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-bulk_Si_st12/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-point_defect_Si_diamond_interstitial_dumb/model-ACE-test-interstitial-dumbbell.opt.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-point_defect_Si_diamond_interstitial_dumb/model-ACE-test-interstitial-dumbbell.opt.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-point_defect_Si_diamond_interstitial_hex-Z_14-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-point_defect_Si_diamond_interstitial_hex-Z_14-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-point_defect_Si_diamond_interstitial_hex-Z_14-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-point_defect_Si_diamond_interstitial_hex-relaxed_bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-point_defect_Si_diamond_interstitial_hex-relaxed_bulk-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-point_defect_Si_diamond_interstitial_hex-relaxed_bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-point_defect_Si_diamond_interstitial_tetr-Z_14-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-point_defect_Si_diamond_interstitial_tetr-Z_14-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-point_defect_Si_diamond_interstitial_tetr-Z_14-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-point_defect_Si_diamond_interstitial_tetr-relaxed_bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-point_defect_Si_diamond_interstitial_tetr-relaxed_bulk-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-point_defect_Si_diamond_vacancy-ind_0_Z_14-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-point_defect_Si_diamond_vacancy-ind_0_Z_14-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-point_defect_Si_diamond_vacancy-ind_0_Z_14-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-point_defect_Si_diamond_vacancy-rescaled_bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-point_defect_Si_diamond_vacancy-rescaled_bulk-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-point_defect_Si_diamond_vacancy-rescaled_bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-surface-decohesion-100-unrelaxed/decoh_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-surface-decohesion-100-unrelaxed/decoh_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-surface-energy-110-relaxed/model-ACE-surface-energy-110-relaxed.opt.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-surface-energy-110-relaxed/model-ACE-surface-energy-110-relaxed.opt.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-surface_Si_diamond_100/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-surface_Si_diamond_100-surface-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-surface_Si_diamond_100/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-surface_Si_diamond_100-surface-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-surface_Si_diamond_110/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-surface_Si_diamond_110-surface-energy-110-relaxed.opt.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-surface_Si_diamond_110/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-surface_Si_diamond_110-surface-energy-110-relaxed.opt.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-surface_Si_diamond_111/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-surface_Si_diamond_111-surface-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-surface_Si_diamond_111/Si-model-pACE_B8_N4_18_07_lap_dia_1.1-test-surface_Si_diamond_111-surface-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bc8/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bc8/lattice_bulk_traj.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_000-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_000-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_01-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-E_vs_V_10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-bulk-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-bulk-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc-bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_bcc/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-E_vs_V_10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-bulk-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn-bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_beta-Sn/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/E_vs_V_traj_-1.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/E_vs_V_traj_-2.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/E_vs_V_traj_-2.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/E_vs_V_traj_-7.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/E_vs_V_traj_-7.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/E_vs_V_traj_00.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/E_vs_V_traj_00.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/E_vs_V_traj_01.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/E_vs_V_traj_01.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/E_vs_V_traj_03.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/E_vs_V_traj_03.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/E_vs_V_traj_04.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/E_vs_V_traj_04.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/E_vs_V_traj_05.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/E_vs_V_traj_05.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/E_vs_V_traj_06.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/E_vs_V_traj_06.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/E_vs_V_traj_07.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/E_vs_V_traj_07.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/E_vs_V_traj_08.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/E_vs_V_traj_08.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/E_vs_V_traj_09.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/E_vs_V_traj_09.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/E_vs_V_traj_10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/E_vs_V_traj_10.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-01-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-01-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-02-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-02-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-03-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-04-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-04-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-05-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-06-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-06-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-07-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-07-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-08-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-09-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-10-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-10-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_000-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_000-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_01-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_01-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_02-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_02-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_03-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_04-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_05-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_05-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_09-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_10-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-E_vs_V_10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-bulk-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-bulk-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond-bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/lattice_bulk_traj.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/lattice_bulk_traj.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_diamond/lattice_bulk_traj.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/E_vs_V_traj_-1.extxyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/E_vs_V_traj_-1.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/E_vs_V_traj_-1.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/E_vs_V_traj_-10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/E_vs_V_traj_-10.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_000-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_000-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_01-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-E_vs_V_10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-bulk-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-bulk-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc-bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_fcc/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/E_vs_V_traj_-1.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/E_vs_V_traj_-1.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/E_vs_V_traj_-10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/E_vs_V_traj_-10.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/E_vs_V_traj_-10.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/E_vs_V_traj_-2.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/E_vs_V_traj_-2.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-09-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-09-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-10-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_000-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_000-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_01-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-E_vs_V_10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-bulk-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-bulk-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp-bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/E_vs_V_traj_-1.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/E_vs_V_traj_-1.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/E_vs_V_traj_-2.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/E_vs_V_traj_-2.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/E_vs_V_traj_-2.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/E_vs_V_traj_-3.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/E_vs_V_traj_-3.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/E_vs_V_traj_-3.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/E_vs_V_traj_-4.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/E_vs_V_traj_-4.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/E_vs_V_traj_-4.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/E_vs_V_traj_-5.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/E_vs_V_traj_-5.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/E_vs_V_traj_-5.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/E_vs_V_traj_00.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf-E_vs_V_-01-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf-E_vs_V_-02-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf-E_vs_V_-02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf-E_vs_V_-02-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf-E_vs_V_-03-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf-E_vs_V_-03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf-E_vs_V_-03-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf-E_vs_V_-04-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf-E_vs_V_-04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf-E_vs_V_-04-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf-E_vs_V_-04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf-E_vs_V_-05-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf-E_vs_V_000-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf-E_vs_V_000-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf-bulk-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hcp_sf/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-1.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-10.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-10.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-2.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-2.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-2.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-3.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-3.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-3.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-4.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-4.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-4.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-5.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-5.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-5.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-6.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-6.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-6.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-7.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-7.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-7.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-8.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-8.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-8.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-9.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-9.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_00.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_00.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_01.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_01.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_01.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_02.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_02.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_02.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_03.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_03.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_03.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_04.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_04.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_04.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_05.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_05.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_06.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_06.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_06.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_07.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_07.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_07.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_08.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_08.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_09.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_09.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_10.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz
similarity index 100%
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/lattice_bulk_traj.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/lattice_bulk_traj.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_hexagonal_diamond/lattice_bulk_traj.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-1.extxyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-1.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-1.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-10.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-10.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-10.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-2.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-2.extxyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-2.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-2.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-3.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-3.extxyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-3.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-3.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-4.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-4.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-4.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-4.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-5.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-5.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-bulk-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-bulk-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal-bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/lattice_bulk_traj.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/lattice_bulk_traj.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_simple_hexagonal/lattice_bulk_traj.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/E_vs_V_traj_-1.extxyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/E_vs_V_traj_-1.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/E_vs_V_traj_-1.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/E_vs_V_traj_-10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/E_vs_V_traj_-10.extxyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/E_vs_V_traj_-10.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/E_vs_V_traj_-10.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/E_vs_V_traj_-2.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/E_vs_V_traj_-2.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_000-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_000-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_01-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_03-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-E_vs_V_10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-bulk-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-bulk-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12-bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-bulk_Si_st12/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-point_defect_Si_diamond_interstitial_dumb/model-ACE-test-interstitial-dumbbell.opt.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-point_defect_Si_diamond_interstitial_dumb/model-ACE-test-interstitial-dumbbell.opt.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-point_defect_Si_diamond_interstitial_hex-Z_14-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-point_defect_Si_diamond_interstitial_hex-Z_14-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-point_defect_Si_diamond_interstitial_hex-Z_14-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-point_defect_Si_diamond_interstitial_hex-relaxed_bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-point_defect_Si_diamond_interstitial_hex-relaxed_bulk-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-point_defect_Si_diamond_interstitial_tetr-Z_14-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-point_defect_Si_diamond_interstitial_tetr-Z_14-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-point_defect_Si_diamond_interstitial_tetr-relaxed_bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-point_defect_Si_diamond_interstitial_tetr-relaxed_bulk-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-point_defect_Si_diamond_vacancy-ind_0_Z_14-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-point_defect_Si_diamond_vacancy-ind_0_Z_14-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-point_defect_Si_diamond_vacancy-rescaled_bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-point_defect_Si_diamond_vacancy-rescaled_bulk-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-surface-decohesion-100-unrelaxed/decoh_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-surface-decohesion-100-unrelaxed/decoh_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-surface-energy-110-relaxed/model-ACE-surface-energy-110-relaxed.opt.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-surface-energy-110-relaxed/model-ACE-surface-energy-110-relaxed.opt.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-surface_Si_diamond_100/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-surface_Si_diamond_100-surface-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-surface_Si_diamond_100/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-surface_Si_diamond_100-surface-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-surface_Si_diamond_110/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-surface_Si_diamond_110-surface-energy-110-relaxed.opt.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-surface_Si_diamond_110/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-surface_Si_diamond_110-surface-energy-110-relaxed.opt.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-surface_Si_diamond_111/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-surface_Si_diamond_111-surface-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-surface_Si_diamond_111/Si-model-pACE_B8_N4_18_07_lap_dia_1.2-test-surface_Si_diamond_111-surface-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_-1.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_-10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_-10.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_-2.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_-2.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_-3.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_-3.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_-4.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_-4.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_-5.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_-5.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_-6.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_-6.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_-7.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_-7.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_-8.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_-8.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_-9.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_-9.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_00.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_00.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_01.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_01.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_02.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_02.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_03.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_03.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_04.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_04.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_05.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_05.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_06.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_06.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_06.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_07.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_07.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_07.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_08.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_08.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_08.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_09.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_09.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_09.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_10.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/E_vs_V_traj_10.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-01-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-02-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-03-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-04-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-05-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-05-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-06-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-06-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-07-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-07-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-08-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-08-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_04-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_06-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_07-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_07-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_08-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-E_vs_V_10-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn-bulk-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_beta-Sn/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/E_vs_V_traj_09.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/E_vs_V_traj_09.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/E_vs_V_traj_10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/E_vs_V_traj_10.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-01-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-04-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-05-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-05-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-06-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-07-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-07-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-08-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-09-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-10-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_000-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_000-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_000-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_01-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_02-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_02-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_03-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_03-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_03-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_05-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_05-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_09-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_09-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_10-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_diamond-E_vs_V_10-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_hexagonal_diamond/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-1.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-10.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-01-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-01-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-02-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-bulk-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal-bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-bulk_Si_simple_hexagonal/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_rid_1.05-test-point_defect_Si_diamond_interstitial_hex-Z_14-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_rid_1.05-test-point_defect_Si_diamond_interstitial_hex-Z_14-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_rid_1.05-test-point_defect_Si_diamond_interstitial_hex-Z_14-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_rid_1.05-test-point_defect_Si_diamond_interstitial_hex-relaxed_bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_rid_1.05-test-point_defect_Si_diamond_interstitial_hex-relaxed_bulk-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_rid_1.05-test-point_defect_Si_diamond_interstitial_hex-relaxed_bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_rid_1.05-test-point_defect_Si_diamond_interstitial_tetr-Z_14-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_rid_1.05-test-point_defect_Si_diamond_interstitial_tetr-Z_14-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_rid_1.05-test-point_defect_Si_diamond_interstitial_tetr-relaxed_bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_rid_1.05-test-point_defect_Si_diamond_interstitial_tetr-relaxed_bulk-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_rid_1.05-test-point_defect_Si_diamond_interstitial_tetr-relaxed_bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_rid_1.05-test-point_defect_Si_diamond_vacancy-ind_0_Z_14-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_rid_1.05-test-point_defect_Si_diamond_vacancy-ind_0_Z_14-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_rid_1.05-test-point_defect_Si_diamond_vacancy-rescaled_bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_rid_1.05-test-point_defect_Si_diamond_vacancy-rescaled_bulk-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_rid_1.05-test-point_defect_Si_diamond_vacancy-rescaled_bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-surface-decohesion-100-unrelaxed/decoh_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-surface-decohesion-100-unrelaxed/decoh_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-surface_Si_diamond_100/Si-model-pACE_B8_N4_18_07_rid_1.05-test-surface_Si_diamond_100-surface-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-surface_Si_diamond_100/Si-model-pACE_B8_N4_18_07_rid_1.05-test-surface_Si_diamond_100-surface-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-surface_Si_diamond_110/Si-model-pACE_B8_N4_18_07_rid_1.05-test-surface_Si_diamond_110-surface-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-surface_Si_diamond_110/Si-model-pACE_B8_N4_18_07_rid_1.05-test-surface_Si_diamond_110-surface-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-surface_Si_diamond_111/Si-model-pACE_B8_N4_18_07_rid_1.05-test-surface_Si_diamond_111-surface-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.05-test-surface_Si_diamond_111/Si-model-pACE_B8_N4_18_07_rid_1.05-test-surface_Si_diamond_111-surface-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/E_vs_V_traj_-1.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/E_vs_V_traj_-10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/E_vs_V_traj_-10.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/E_vs_V_traj_-2.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/E_vs_V_traj_-2.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/E_vs_V_traj_-3.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/E_vs_V_traj_-3.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/E_vs_V_traj_-4.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/E_vs_V_traj_-4.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/E_vs_V_traj_-5.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/E_vs_V_traj_-5.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/E_vs_V_traj_-6.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/E_vs_V_traj_-6.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/E_vs_V_traj_-7.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/E_vs_V_traj_-7.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/E_vs_V_traj_-8.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/E_vs_V_traj_-8.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/E_vs_V_traj_-9.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/E_vs_V_traj_-9.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/E_vs_V_traj_00.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/E_vs_V_traj_00.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_-03-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_-04-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_-05-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_-06-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_-07-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_-07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_-07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_-08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_-08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_04-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_06-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_07-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_08-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_08-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_09-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_09-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_10-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-E_vs_V_10-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn-bulk-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_beta-Sn/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/E_vs_V_traj_-1.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/E_vs_V_traj_-10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/E_vs_V_traj_-10.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/E_vs_V_traj_-4.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/E_vs_V_traj_-4.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/E_vs_V_traj_-7.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/E_vs_V_traj_-7.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/E_vs_V_traj_-8.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/E_vs_V_traj_-8.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/E_vs_V_traj_00.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/E_vs_V_traj_00.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/E_vs_V_traj_01.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/E_vs_V_traj_01.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/E_vs_V_traj_02.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/E_vs_V_traj_02.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/E_vs_V_traj_03.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/E_vs_V_traj_03.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_-07-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_-08-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_-09-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_-10-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_000-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_01-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_02-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_03-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_05-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_05-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_09-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_09-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_10-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-E_vs_V_10-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond-bulk-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_diamond/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-1.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-10.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-2.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-2.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-3.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-3.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-4.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-4.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-5.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-5.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-6.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-6.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-7.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-7.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-8.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-8.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-9.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-9.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-9.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_00.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_00.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_01.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_01.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_02.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_02.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_03.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_03.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_04.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_04.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_05.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_05.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_06.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_06.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_07.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_07.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_08.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_08.extxyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_08.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_08.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_09.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_09.extxyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_09.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_09.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_10.extxyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_10.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_10.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_hexagonal_diamond/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-1.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-10.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-2.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-2.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-3.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-3.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-4.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-4.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-5.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-5.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-6.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-6.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-7.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-7.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-8.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-8.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-8.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-9.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-9.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-9.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_00.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_00.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_01.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_01.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_01.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_02.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_02.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_03.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_03.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_04.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_04.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_05.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_05.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_06.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_06.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_07.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_07.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_08.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_08.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-01-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-01-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-02-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-02-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-03-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-03-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-04-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-04-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-05-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-05-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-bulk-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal-bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/lattice_bulk_traj.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/lattice_bulk_traj.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-bulk_Si_simple_hexagonal/lattice_bulk_traj.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_rid_1.1-test-point_defect_Si_diamond_interstitial_hex-Z_14-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_rid_1.1-test-point_defect_Si_diamond_interstitial_hex-Z_14-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_rid_1.1-test-point_defect_Si_diamond_interstitial_hex-Z_14-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_rid_1.1-test-point_defect_Si_diamond_interstitial_hex-relaxed_bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_rid_1.1-test-point_defect_Si_diamond_interstitial_hex-relaxed_bulk-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_18_07_rid_1.1-test-point_defect_Si_diamond_interstitial_hex-relaxed_bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_rid_1.1-test-point_defect_Si_diamond_interstitial_tetr-Z_14-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_rid_1.1-test-point_defect_Si_diamond_interstitial_tetr-Z_14-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_rid_1.1-test-point_defect_Si_diamond_interstitial_tetr-Z_14-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_rid_1.1-test-point_defect_Si_diamond_interstitial_tetr-relaxed_bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_rid_1.1-test-point_defect_Si_diamond_interstitial_tetr-relaxed_bulk-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_18_07_rid_1.1-test-point_defect_Si_diamond_interstitial_tetr-relaxed_bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_rid_1.1-test-point_defect_Si_diamond_vacancy-ind_0_Z_14-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_rid_1.1-test-point_defect_Si_diamond_vacancy-ind_0_Z_14-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_rid_1.1-test-point_defect_Si_diamond_vacancy-ind_0_Z_14-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_rid_1.1-test-point_defect_Si_diamond_vacancy-rescaled_bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_rid_1.1-test-point_defect_Si_diamond_vacancy-rescaled_bulk-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_rid_1.1-test-point_defect_Si_diamond_vacancy-rescaled_bulk-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_18_07_rid_1.1-test-point_defect_Si_diamond_vacancy-rescaled_bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-surface-decohesion-100-unrelaxed/decoh_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-surface-decohesion-100-unrelaxed/decoh_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-surface_Si_diamond_100/Si-model-pACE_B8_N4_18_07_rid_1.1-test-surface_Si_diamond_100-surface-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-surface_Si_diamond_100/Si-model-pACE_B8_N4_18_07_rid_1.1-test-surface_Si_diamond_100-surface-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-surface_Si_diamond_110/Si-model-pACE_B8_N4_18_07_rid_1.1-test-surface_Si_diamond_110-surface-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-surface_Si_diamond_110/Si-model-pACE_B8_N4_18_07_rid_1.1-test-surface_Si_diamond_110-surface-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-surface_Si_diamond_111/Si-model-pACE_B8_N4_18_07_rid_1.1-test-surface_Si_diamond_111-surface-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_18_07_rid_1.1-test-surface_Si_diamond_111/Si-model-pACE_B8_N4_18_07_rid_1.1-test-surface_Si_diamond_111-surface-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/E_vs_V_traj_-1.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/E_vs_V_traj_-10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/E_vs_V_traj_-10.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/E_vs_V_traj_-2.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/E_vs_V_traj_-2.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/E_vs_V_traj_-3.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/E_vs_V_traj_-3.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/E_vs_V_traj_-4.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/E_vs_V_traj_-4.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-03-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-04-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-05-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_06-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_07-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_07-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_08-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_08-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_09-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_09-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_10-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_10-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn-bulk-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_beta-Sn/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/E_vs_V_traj_-7.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/E_vs_V_traj_-7.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-05-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-06-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-07-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-07-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_01-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_02-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_03-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_05-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_09-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_09-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_10-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_10-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond-bulk-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_diamond/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-1.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-10.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-2.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-2.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-3.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-3.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-7.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-7.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_00.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_00.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_01.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_01.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_03.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_03.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_08.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_08.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz
similarity index 100%
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_hexagonal_diamond/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-1.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-10.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-2.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-2.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-3.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-3.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-4.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-4.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-4.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-5.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-5.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-5.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-6.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-6.extxyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-6.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-6.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-7.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-7.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-7.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-8.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-8.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-8.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-9.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-9.extxyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-9.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-9.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_00.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_00.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_00.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_01.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_01.extxyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_01.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_02.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_02.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_03.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_03.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_04.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_04.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-01-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-02-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-02-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-03-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-03-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-04-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-04-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-05-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-05-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal-bulk-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-bulk_Si_simple_hexagonal/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-point_defect_Si_diamond_interstitial_dumb/model-ACE-test-interstitial-dumbbell.opt.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-point_defect_Si_diamond_interstitial_dumb/model-ACE-test-interstitial-dumbbell.opt.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_19_07_lap_1.1-test-point_defect_Si_diamond_interstitial_hex-Z_14-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_19_07_lap_1.1-test-point_defect_Si_diamond_interstitial_hex-Z_14-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_19_07_lap_1.1-test-point_defect_Si_diamond_interstitial_hex-Z_14-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_19_07_lap_1.1-test-point_defect_Si_diamond_interstitial_hex-relaxed_bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_19_07_lap_1.1-test-point_defect_Si_diamond_interstitial_hex-relaxed_bulk-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N4_19_07_lap_1.1-test-point_defect_Si_diamond_interstitial_hex-relaxed_bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_19_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr-Z_14-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_19_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr-Z_14-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_19_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr-Z_14-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_19_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr-relaxed_bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_19_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr-relaxed_bulk-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N4_19_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr-relaxed_bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_19_07_lap_1.1-test-point_defect_Si_diamond_vacancy-ind_0_Z_14-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_19_07_lap_1.1-test-point_defect_Si_diamond_vacancy-ind_0_Z_14-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_19_07_lap_1.1-test-point_defect_Si_diamond_vacancy-rescaled_bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N4_19_07_lap_1.1-test-point_defect_Si_diamond_vacancy-rescaled_bulk-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-surface-decohesion-100-unrelaxed/decoh_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-surface-decohesion-100-unrelaxed/decoh_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-surface-energy-110-relaxed/model-ACE-surface-energy-110-relaxed.opt.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-surface-energy-110-relaxed/model-ACE-surface-energy-110-relaxed.opt.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-surface_Si_diamond_100/Si-model-pACE_B8_N4_19_07_lap_1.1-test-surface_Si_diamond_100-surface-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-surface_Si_diamond_100/Si-model-pACE_B8_N4_19_07_lap_1.1-test-surface_Si_diamond_100-surface-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-surface_Si_diamond_110/Si-model-pACE_B8_N4_19_07_lap_1.1-test-surface_Si_diamond_110-surface-energy-110-relaxed.opt.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-surface_Si_diamond_110/Si-model-pACE_B8_N4_19_07_lap_1.1-test-surface_Si_diamond_110-surface-energy-110-relaxed.opt.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-surface_Si_diamond_111/Si-model-pACE_B8_N4_19_07_lap_1.1-test-surface_Si_diamond_111-surface-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N4_19_07_lap_1.1-test-surface_Si_diamond_111/Si-model-pACE_B8_N4_19_07_lap_1.1-test-surface_Si_diamond_111-surface-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-01-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-01-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-02-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-02-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-03-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-03-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-04-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-04-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-07-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-08-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_04-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_06-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_07-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_08-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_09-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_09-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_10-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_10-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-E_vs_V_10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn-bulk-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_beta-Sn/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/E_vs_V_traj_-1.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/E_vs_V_traj_-10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/E_vs_V_traj_-10.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/E_vs_V_traj_-2.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/E_vs_V_traj_-2.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/E_vs_V_traj_-3.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/E_vs_V_traj_-3.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-02-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-03-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-03-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-04-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-04-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-05-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-06-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-06-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-07-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-08-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-08-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-09-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-09-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-10-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-10-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_000-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_000-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_01-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_01-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_02-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_02-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_03-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_03-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_04-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_05-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_09-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_09-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_10-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_10-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-E_vs_V_10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-bulk-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-bulk-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond-bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_diamond/lattice_bulk_traj.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-1.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-10.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-2.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-2.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-3.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-3.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-4.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-4.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-5.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-5.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-6.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-6.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-7.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-7.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-8.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-8.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-9.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/E_vs_V_traj_-9.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-01-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-02-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-03-unrelaxed.xyz
similarity index 100%
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-04-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-05-unrelaxed.xyz
similarity index 100%
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-E_vs_V_10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond-bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/lattice_bulk_traj.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/lattice_bulk_traj.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_hexagonal_diamond/lattice_bulk_traj.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-1.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-1.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-1.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-1.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-10.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-10.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-10.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-10.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-2.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-2.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-2.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-2.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-3.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-3.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-3.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-3.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-4.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-4.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-4.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-4.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-5.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-5.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-5.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-5.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-6.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-6.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-6.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-6.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-7.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-7.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-7.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-7.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-8.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-8.extxyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-8.extxyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-8.extxyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-9.extxyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-9.extxyz
similarity index 100%
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rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/E_vs_V_traj_-9.extxyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-01-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-02-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-02-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-03-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-03-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-04-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-04-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-05-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-05-unrelaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-06-relaxed.xyz
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diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_07-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_08-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_09-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_10-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-E_vs_V_10-unrelaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-bulk-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-bulk-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal-bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/lattice_bulk_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/lattice_bulk_traj.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/lattice_bulk_traj.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-bulk_Si_simple_hexagonal/lattice_bulk_traj.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_hex-Z_14-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_hex-Z_14-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_hex-Z_14-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_hex-Z_14-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_hex-relaxed_bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_hex-relaxed_bulk-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_hex-relaxed_bulk-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_hex/Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_hex-relaxed_bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr-Z_14-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr-Z_14-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr-Z_14-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr-Z_14-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr-relaxed_bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr-relaxed_bulk-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr-relaxed_bulk-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr/Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_interstitial_tetr-relaxed_bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_vacancy-ind_0_Z_14-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_vacancy-ind_0_Z_14-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_vacancy-ind_0_Z_14-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_vacancy-ind_0_Z_14-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_vacancy-rescaled_bulk-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_vacancy-rescaled_bulk-relaxed.xyz
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rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_vacancy-rescaled_bulk-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_vacancy/Si-model-pACE_B8_N5_18_07_lap_1.1-test-point_defect_Si_diamond_vacancy-rescaled_bulk-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-surface-decohesion-100-unrelaxed/decoh_traj.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-surface-decohesion-100-unrelaxed/decoh_traj.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-surface-decohesion-100-unrelaxed/decoh_traj.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-surface-decohesion-100-unrelaxed/decoh_traj.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-surface_Si_diamond_100/Si-model-pACE_B8_N5_18_07_lap_1.1-test-surface_Si_diamond_100-surface-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-surface_Si_diamond_100/Si-model-pACE_B8_N5_18_07_lap_1.1-test-surface_Si_diamond_100-surface-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-surface_Si_diamond_100/Si-model-pACE_B8_N5_18_07_lap_1.1-test-surface_Si_diamond_100-surface-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-surface_Si_diamond_100/Si-model-pACE_B8_N5_18_07_lap_1.1-test-surface_Si_diamond_100-surface-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-surface_Si_diamond_110/Si-model-pACE_B8_N5_18_07_lap_1.1-test-surface_Si_diamond_110-surface-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-surface_Si_diamond_110/Si-model-pACE_B8_N5_18_07_lap_1.1-test-surface_Si_diamond_110-surface-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-surface_Si_diamond_110/Si-model-pACE_B8_N5_18_07_lap_1.1-test-surface_Si_diamond_110-surface-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-surface_Si_diamond_110/Si-model-pACE_B8_N5_18_07_lap_1.1-test-surface_Si_diamond_110-surface-relaxed.xyz
diff --git a/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-surface_Si_diamond_111/Si-model-pACE_B8_N5_18_07_lap_1.1-test-surface_Si_diamond_111-surface-relaxed.xyz b/testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-surface_Si_diamond_111/Si-model-pACE_B8_N5_18_07_lap_1.1-test-surface_Si_diamond_111-surface-relaxed.xyz
similarity index 100%
rename from example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-surface_Si_diamond_111/Si-model-pACE_B8_N5_18_07_lap_1.1-test-surface_Si_diamond_111-surface-relaxed.xyz
rename to testingframework/example_models/Si/run_dir/run_Si-model-pACE_B8_N5_18_07_lap_1.1-test-surface_Si_diamond_111/Si-model-pACE_B8_N5_18_07_lap_1.1-test-surface_Si_diamond_111-surface-relaxed.xyz
diff --git a/example_models/Si/run_dir/surface-decohesion-100-unrelaxed.pdf b/testingframework/example_models/Si/run_dir/surface-decohesion-100-unrelaxed.pdf
similarity index 100%
rename from example_models/Si/run_dir/surface-decohesion-100-unrelaxed.pdf
rename to testingframework/example_models/Si/run_dir/surface-decohesion-100-unrelaxed.pdf
diff --git a/example_models/Si/run_dir/surface-decohesion-110-unrelaxed.pdf b/testingframework/example_models/Si/run_dir/surface-decohesion-110-unrelaxed.pdf
similarity index 100%
rename from example_models/Si/run_dir/surface-decohesion-110-unrelaxed.pdf
rename to testingframework/example_models/Si/run_dir/surface-decohesion-110-unrelaxed.pdf
diff --git a/example_models/Si/run_dir/surface-decohesion-111-unrelaxed.pdf b/testingframework/example_models/Si/run_dir/surface-decohesion-111-unrelaxed.pdf
similarity index 100%
rename from example_models/Si/run_dir/surface-decohesion-111-unrelaxed.pdf
rename to testingframework/example_models/Si/run_dir/surface-decohesion-111-unrelaxed.pdf
diff --git a/example_models/SiC/models/Tersoff/model.py b/testingframework/example_models/SiC/models/Tersoff/model.py
similarity index 95%
rename from example_models/SiC/models/Tersoff/model.py
rename to testingframework/example_models/SiC/models/Tersoff/model.py
index e70201eae..2997a998f 100644
--- a/example_models/SiC/models/Tersoff/model.py
+++ b/testingframework/example_models/SiC/models/Tersoff/model.py
@@ -7,4 +7,4 @@
calculator = Tersoff(**Tersoff_PRB_39_5566_Si_C)
no_checkpoint = True
-name = 'Tersoff'
+name = "Tersoff"
diff --git a/example_models/SiC/models/TersoffScr/model.py b/testingframework/example_models/SiC/models/TersoffScr/model.py
similarity index 87%
rename from example_models/SiC/models/TersoffScr/model.py
rename to testingframework/example_models/SiC/models/TersoffScr/model.py
index f1698cfc4..3b32ab94e 100644
--- a/example_models/SiC/models/TersoffScr/model.py
+++ b/testingframework/example_models/SiC/models/TersoffScr/model.py
@@ -2,5 +2,5 @@
calculator = TersoffScr(**Tersoff_PRB_39_5566_Si_C__Scr)
-name = 'TersoffScr'
+name = "TersoffScr"
no_checkpoint = True
diff --git a/example_models/SiC/models/Tersoff_quippy/model.py b/testingframework/example_models/SiC/models/Tersoff_quippy/model.py
similarity index 94%
rename from example_models/SiC/models/Tersoff_quippy/model.py
rename to testingframework/example_models/SiC/models/Tersoff_quippy/model.py
index f759fac83..945bf51da 100644
--- a/example_models/SiC/models/Tersoff_quippy/model.py
+++ b/testingframework/example_models/SiC/models/Tersoff_quippy/model.py
@@ -6,7 +6,9 @@
# named `calculator`, which should be an instance of the ase.calculator.Calculator,
# a subclass of this, or a compatible class implementing the calculator interface.
-calculator = Potential('IP Tersoff', param_str="""
+calculator = Potential(
+ "IP Tersoff",
+ param_str="""
Tersoff, Phys. Rev. B v 39, p 5566 (1989)
-""")
+""",
+)
no_checkpoint = True
-name = 'Tersoff'
+name = "Tersoff"
diff --git a/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Al_fcc-relaxed.xyz b/testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Al_fcc-relaxed.xyz
similarity index 100%
rename from example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Al_fcc-relaxed.xyz
rename to testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Al_fcc-relaxed.xyz
diff --git a/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Al_fcc.txt b/testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Al_fcc.txt
similarity index 100%
rename from example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Al_fcc.txt
rename to testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Al_fcc.txt
diff --git a/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti3Al-properties.json b/testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti3Al-properties.json
similarity index 100%
rename from example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti3Al-properties.json
rename to testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti3Al-properties.json
diff --git a/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti3Al-relaxed.xyz b/testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti3Al-relaxed.xyz
similarity index 100%
rename from example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti3Al-relaxed.xyz
rename to testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti3Al-relaxed.xyz
diff --git a/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti3Al.txt b/testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti3Al.txt
similarity index 100%
rename from example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti3Al.txt
rename to testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti3Al.txt
diff --git a/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_TiAl-properties.json b/testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_TiAl-properties.json
similarity index 100%
rename from example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_TiAl-properties.json
rename to testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_TiAl-properties.json
diff --git a/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_TiAl-relaxed.xyz b/testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_TiAl-relaxed.xyz
similarity index 100%
rename from example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_TiAl-relaxed.xyz
rename to testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_TiAl-relaxed.xyz
diff --git a/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_TiAl.txt b/testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_TiAl.txt
similarity index 100%
rename from example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_TiAl.txt
rename to testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_TiAl.txt
diff --git a/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_TiAl3-properties.json b/testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_TiAl3-properties.json
similarity index 100%
rename from example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_TiAl3-properties.json
rename to testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_TiAl3-properties.json
diff --git a/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_TiAl3-relaxed.xyz b/testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_TiAl3-relaxed.xyz
similarity index 100%
rename from example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_TiAl3-relaxed.xyz
rename to testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_TiAl3-relaxed.xyz
diff --git a/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_TiAl3.txt b/testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_TiAl3.txt
similarity index 100%
rename from example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_TiAl3.txt
rename to testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_TiAl3.txt
diff --git a/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti_bcc-properties.json b/testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti_bcc-properties.json
similarity index 100%
rename from example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti_bcc-properties.json
rename to testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti_bcc-properties.json
diff --git a/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti_bcc-relaxed.xyz b/testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti_bcc-relaxed.xyz
similarity index 100%
rename from example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti_bcc-relaxed.xyz
rename to testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti_bcc-relaxed.xyz
diff --git a/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti_bcc.txt b/testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti_bcc.txt
similarity index 100%
rename from example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti_bcc.txt
rename to testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti_bcc.txt
diff --git a/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti_hcp-properties.json b/testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti_hcp-properties.json
similarity index 100%
rename from example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti_hcp-properties.json
rename to testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti_hcp-properties.json
diff --git a/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti_hcp-relaxed.xyz b/testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti_hcp-relaxed.xyz
similarity index 100%
rename from example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti_hcp-relaxed.xyz
rename to testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti_hcp-relaxed.xyz
diff --git a/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti_hcp.txt b/testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti_hcp.txt
similarity index 100%
rename from example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti_hcp.txt
rename to testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti_hcp.txt
diff --git a/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti_omega-properties.json b/testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti_omega-properties.json
similarity index 100%
rename from example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti_omega-properties.json
rename to testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti_omega-properties.json
diff --git a/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti_omega-relaxed.xyz b/testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti_omega-relaxed.xyz
similarity index 100%
rename from example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti_omega-relaxed.xyz
rename to testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti_omega-relaxed.xyz
diff --git a/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti_omega.txt b/testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti_omega.txt
similarity index 100%
rename from example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti_omega.txt
rename to testingframework/example_models/TiAl/run_dir/TiAl-model-CASTEP-test-bulk_Ti_omega.txt
diff --git a/example_models/TiAl/run_dir/default_analysis_settings.json b/testingframework/example_models/TiAl/run_dir/default_analysis_settings.json
similarity index 100%
rename from example_models/TiAl/run_dir/default_analysis_settings.json
rename to testingframework/example_models/TiAl/run_dir/default_analysis_settings.json
diff --git a/example_models/TiAlV/models/TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1/TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_075rnn_B12_N3_12_rid_1.2_rep.json b/testingframework/example_models/TiAlV/models/TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1/TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_075rnn_B12_N3_12_rid_1.2_rep.json
similarity index 100%
rename from example_models/TiAlV/models/TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1/TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_075rnn_B12_N3_12_rid_1.2_rep.json
rename to testingframework/example_models/TiAlV/models/TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1/TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_075rnn_B12_N3_12_rid_1.2_rep.json
diff --git a/example_models/TiAlV/models/TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1/model.py b/testingframework/example_models/TiAlV/models/TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1/model.py
similarity index 73%
rename from example_models/TiAlV/models/TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1/model.py
rename to testingframework/example_models/TiAlV/models/TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1/model.py
index b780e5c03..5bf8229c4 100644
--- a/example_models/TiAlV/models/TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1/model.py
+++ b/testingframework/example_models/TiAlV/models/TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1/model.py
@@ -3,7 +3,7 @@
import glob
model_dir = os.path.dirname(os.path.realpath(__file__))
-pot_name = glob.glob(os.path.join(model_dir,"*.json"))[0]
+pot_name = glob.glob(os.path.join(model_dir, "*.json"))[0]
calculator = pyjulip.ACE(pot_name)
diff --git a/example_models/TiAlV/run_dir/TiAl-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc.txt b/testingframework/example_models/TiAlV/run_dir/TiAl-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc.txt
similarity index 100%
rename from example_models/TiAlV/run_dir/TiAl-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc.txt
rename to testingframework/example_models/TiAlV/run_dir/TiAl-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc.txt
diff --git a/example_models/TiAlV/run_dir/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-properties.json b/testingframework/example_models/TiAlV/run_dir/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-properties.json
similarity index 100%
rename from example_models/TiAlV/run_dir/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-properties.json
rename to testingframework/example_models/TiAlV/run_dir/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-properties.json
diff --git a/example_models/TiAlV/run_dir/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-relaxed.xyz
similarity index 100%
rename from example_models/TiAlV/run_dir/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc.txt b/testingframework/example_models/TiAlV/run_dir/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc.txt
similarity index 100%
rename from example_models/TiAlV/run_dir/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc.txt
rename to testingframework/example_models/TiAlV/run_dir/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc.txt
diff --git a/example_models/TiAlV/run_dir/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-properties.json b/testingframework/example_models/TiAlV/run_dir/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-properties.json
similarity index 100%
rename from example_models/TiAlV/run_dir/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-properties.json
rename to testingframework/example_models/TiAlV/run_dir/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-properties.json
diff --git a/example_models/TiAlV/run_dir/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-relaxed.xyz
similarity index 100%
rename from example_models/TiAlV/run_dir/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-relaxed.xyz
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diff --git a/example_models/TiAlV/run_dir/TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1_Al3.0Ti20.0V_bulk.pdf b/testingframework/example_models/TiAlV/run_dir/TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1_Al3.0Ti20.0V_bulk.pdf
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rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/E_vs_V_traj_10.extxyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-01-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-01-relaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-01-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-01-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-01-unrelaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-01-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-01-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-02-relaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-02-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-02-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-02-unrelaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-02-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-02-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-03-relaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-03-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-03-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-03-unrelaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-03-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-03-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-04-relaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-04-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-04-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-04-unrelaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-04-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-04-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-05-relaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-05-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-05-unrelaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-05-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-06-relaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-06-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-06-unrelaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-06-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-07-relaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-07-unrelaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-07-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-08-relaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-08-unrelaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-09-relaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-09-unrelaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-10-relaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-10-unrelaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_000-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_000-relaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_000-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_000-unrelaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_01-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_01-relaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_01-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_01-unrelaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_02-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_02-relaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_02-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_02-unrelaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_03-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_03-relaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_03-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_03-unrelaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_04-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_04-relaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_04-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_04-unrelaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_05-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_05-relaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_05-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_05-unrelaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_06-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_06-relaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_06-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_06-unrelaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_07-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_07-relaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_07-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_07-unrelaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_08-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_08-relaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_08-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_08-unrelaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_09-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_09-relaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_09-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_09-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_09-unrelaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_09-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_10-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_10-relaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_10-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_10-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_10-unrelaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_10-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-E_vs_V_10-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-bulk-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-bulk-relaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-bulk-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc-bulk-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/lattice_bulk_traj.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_bcc/lattice_bulk_traj.xyz
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diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_-1.extxyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_-1.extxyz
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rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_-1.extxyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_-10.extxyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_-10.extxyz
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diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_-2.extxyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_-2.extxyz
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diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_-3.extxyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_-3.extxyz
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rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_-3.extxyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_-4.extxyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_-4.extxyz
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rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_-4.extxyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_-5.extxyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_-5.extxyz
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rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_-5.extxyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_-6.extxyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_-6.extxyz
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rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_-6.extxyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_-7.extxyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_-7.extxyz
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rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_-7.extxyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_-8.extxyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_-8.extxyz
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rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_-8.extxyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_-9.extxyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_-9.extxyz
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rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_-9.extxyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_00.extxyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_00.extxyz
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rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_00.extxyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_01.extxyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_01.extxyz
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rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_01.extxyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_02.extxyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_02.extxyz
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rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_02.extxyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_03.extxyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_03.extxyz
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rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_03.extxyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_04.extxyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_04.extxyz
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rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_04.extxyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_05.extxyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_05.extxyz
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rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_05.extxyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_06.extxyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_06.extxyz
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rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_06.extxyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_07.extxyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_07.extxyz
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rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_07.extxyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_08.extxyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_08.extxyz
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rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_08.extxyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_09.extxyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_09.extxyz
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rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_09.extxyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_10.extxyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_10.extxyz
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rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/E_vs_V_traj_10.extxyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-01-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-01-relaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-01-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-01-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-01-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-01-unrelaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-01-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-01-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-02-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-02-relaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-02-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-02-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-02-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-02-unrelaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-02-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-02-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-03-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-03-relaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-03-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-03-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-03-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-03-unrelaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-03-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-03-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-04-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-04-relaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-04-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-04-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-04-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-04-unrelaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-04-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-04-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-05-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-05-relaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-05-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-05-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-05-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-05-unrelaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-05-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-05-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-06-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-06-relaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-06-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-06-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-06-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-06-unrelaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-06-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-06-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-07-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-07-relaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-07-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-07-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-07-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-07-unrelaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-07-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-07-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-08-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-08-relaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-08-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-08-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-08-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-08-unrelaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-08-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-08-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-09-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-09-relaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-09-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-09-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-09-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-09-unrelaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-09-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-09-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-10-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-10-relaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-10-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-10-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-10-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-10-unrelaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-10-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_-10-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_000-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_000-relaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_000-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_000-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_000-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_000-unrelaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_000-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_000-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_01-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_01-relaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_01-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_01-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_01-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_01-unrelaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_01-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_01-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_02-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_02-relaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_02-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_02-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_02-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_02-unrelaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_02-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_02-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_03-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_03-relaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_03-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_03-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_03-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_03-unrelaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_03-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_03-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_04-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_04-relaxed.xyz
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rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_04-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_04-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_04-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_04-unrelaxed.xyz
similarity index 100%
rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_04-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_04-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_05-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_05-relaxed.xyz
similarity index 100%
rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_05-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_05-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_05-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_05-unrelaxed.xyz
similarity index 100%
rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_05-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_05-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_06-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_06-relaxed.xyz
similarity index 100%
rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_06-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_06-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_06-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_06-unrelaxed.xyz
similarity index 100%
rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_06-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_06-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_07-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_07-relaxed.xyz
similarity index 100%
rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_07-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_07-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_07-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_07-unrelaxed.xyz
similarity index 100%
rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_07-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_07-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_08-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_08-relaxed.xyz
similarity index 100%
rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_08-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_08-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_08-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_08-unrelaxed.xyz
similarity index 100%
rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_08-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_08-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_09-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_09-relaxed.xyz
similarity index 100%
rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_09-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_09-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_09-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_09-unrelaxed.xyz
similarity index 100%
rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_09-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_09-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_10-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_10-relaxed.xyz
similarity index 100%
rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_10-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_10-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_10-unrelaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_10-unrelaxed.xyz
similarity index 100%
rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_10-unrelaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-E_vs_V_10-unrelaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-bulk-relaxed.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-bulk-relaxed.xyz
similarity index 100%
rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-bulk-relaxed.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp-bulk-relaxed.xyz
diff --git a/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/lattice_bulk_traj.xyz b/testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/lattice_bulk_traj.xyz
similarity index 100%
rename from example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/lattice_bulk_traj.xyz
rename to testingframework/example_models/TiAlV/run_dir/run_TiAlV-model-TiAl_Ti_Al_TiAlV_FLD_PH_MD_1_B12_N3_12_lap_1.1-test-bulk_TiAlV_hcp/lattice_bulk_traj.xyz
diff --git a/example_models/V/models/EAM/V_Olsson_CMS2009.eam.alloy b/testingframework/example_models/V/models/EAM/V_Olsson_CMS2009.eam.alloy
similarity index 100%
rename from example_models/V/models/EAM/V_Olsson_CMS2009.eam.alloy
rename to testingframework/example_models/V/models/EAM/V_Olsson_CMS2009.eam.alloy
diff --git a/example_models/V/models/EAM/model.py b/testingframework/example_models/V/models/EAM/model.py
similarity index 77%
rename from example_models/V/models/EAM/model.py
rename to testingframework/example_models/V/models/EAM/model.py
index 58becd24c..f0a85b5dc 100644
--- a/example_models/V/models/EAM/model.py
+++ b/testingframework/example_models/V/models/EAM/model.py
@@ -15,12 +15,14 @@
import os
from ase.calculators.lammpsrun import LAMMPS
-os.environ["ASE_LAMMPSRUN_COMMAND"]="lmp_serial"
+os.environ["ASE_LAMMPSRUN_COMMAND"] = "lmp_serial"
model_dir = os.path.dirname(os.path.realpath(__file__))
-parameters = {'pair_style': 'eam/alloy',
- 'pair_coeff': ['* * V_Olsson_CMS2009.eam.alloy V']}
+parameters = {
+ "pair_style": "eam/alloy",
+ "pair_coeff": ["* * V_Olsson_CMS2009.eam.alloy V"],
+}
files = [os.path.join(model_dir, "V_Olsson_CMS2009.eam.alloy")]
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rename from example_models/V/run_dir/run_V-model-EAM-test-bulk_V_bcc/V-model-EAM-test-bulk_V_bcc-E_vs_V_10-unrelaxed.xyz
rename to testingframework/example_models/V/run_dir/run_V-model-EAM-test-bulk_V_bcc/V-model-EAM-test-bulk_V_bcc-E_vs_V_10-unrelaxed.xyz
diff --git a/example_models/V/run_dir/run_V-model-EAM-test-bulk_V_bcc/V-model-EAM-test-bulk_V_bcc-bulk-relaxed.xyz b/testingframework/example_models/V/run_dir/run_V-model-EAM-test-bulk_V_bcc/V-model-EAM-test-bulk_V_bcc-bulk-relaxed.xyz
similarity index 100%
rename from example_models/V/run_dir/run_V-model-EAM-test-bulk_V_bcc/V-model-EAM-test-bulk_V_bcc-bulk-relaxed.xyz
rename to testingframework/example_models/V/run_dir/run_V-model-EAM-test-bulk_V_bcc/V-model-EAM-test-bulk_V_bcc-bulk-relaxed.xyz
diff --git a/example_models/V/run_dir/run_V-model-EAM-test-bulk_V_bcc/lattice_bulk_traj.xyz b/testingframework/example_models/V/run_dir/run_V-model-EAM-test-bulk_V_bcc/lattice_bulk_traj.xyz
similarity index 100%
rename from example_models/V/run_dir/run_V-model-EAM-test-bulk_V_bcc/lattice_bulk_traj.xyz
rename to testingframework/example_models/V/run_dir/run_V-model-EAM-test-bulk_V_bcc/lattice_bulk_traj.xyz
diff --git a/examples/demo.ipynb b/testingframework/examples/demo.ipynb
similarity index 100%
rename from examples/demo.ipynb
rename to testingframework/examples/demo.ipynb
diff --git a/scripts/.gitignore b/testingframework/scripts/.gitignore
similarity index 100%
rename from scripts/.gitignore
rename to testingframework/scripts/.gitignore
diff --git a/testingframework/scripts/analyze_Bain_path.py b/testingframework/scripts/analyze_Bain_path.py
new file mode 100755
index 000000000..ed5025019
--- /dev/null
+++ b/testingframework/scripts/analyze_Bain_path.py
@@ -0,0 +1,59 @@
+#!/usr/bin/env python3
+
+from analyze_utils import *
+import numpy as np
+from ase.units import _k
+import matplotlib.pyplot as plt
+
+(args, models, tests, default_analysis_settings) = analyze_start("Bain_path_*")
+
+ref_linestyles = ["-", "--"]
+other_linestyles = [":", "-."]
+struct_colors = [
+ "black",
+ "red",
+ "blue",
+ "orange",
+ "green",
+ "brown",
+ "grey",
+ "magenta",
+ "cyan",
+]
+ref_model_name = default_analysis_settings["ref_model"]
+
+# read and parse all Bain_data
+Bain_data = read_properties(models, tests, args.test_set)
+
+for test in tests:
+ ref_Bain = Bain_data[ref_model_name][test]["Bain_path_E"]
+
+ f, ax = plt.subplots(figsize=(7, 5))
+
+ ax.plot(
+ [v[0] for v in ref_Bain],
+ [v[1] for v in ref_Bain],
+ label=ref_model_name,
+ linestyle=ref_linestyles[0],
+ color="black",
+ )
+ # ax1.set_xlabel("Unrelaxed opening ($\AA$)")
+ ax.set_xlabel("c/a")
+ ax.set_ylabel("Energy (eV/atom)")
+
+ i = 0
+ for model in sorted(Bain_data.keys()):
+ if bool(Bain_data[model]) is True and model != ref_model_name:
+ i += 1
+ ax.plot(
+ [v[0] for v in Bain_data[model][test]["Bain_path_E"]],
+ [v[1] for v in Bain_data[model][test]["Bain_path_E"]],
+ label=model,
+ color=struct_colors[i],
+ linestyle=other_linestyles[0],
+ )
+
+ # plt.title(test)
+ ax.legend()
+ f.tight_layout()
+ f.savefig("{}.pdf".format(test), bbox_inches="tight") ####
diff --git a/testingframework/scripts/analyze_RSS.py b/testingframework/scripts/analyze_RSS.py
new file mode 100644
index 000000000..513208288
--- /dev/null
+++ b/testingframework/scripts/analyze_RSS.py
@@ -0,0 +1,100 @@
+#!/usr/bin/env python
+
+from analyze_utils import *
+import numpy as np
+from ase.units import _k
+import matplotlib.pyplot as plt
+
+(args, models, tests, default_analysis_settings) = analyze_start(
+ "gap_6_rss_like_open_ended_minima_rerelax_sd2"
+)
+
+try:
+ (mcc_compositions, mcc_energies) = get_multicomponent_constraints(
+ args.test_set, models, default_analysis_settings["multicomponent_constraints"]
+ )
+except:
+ (mcc_compositions, mcc_energies) = (None, None)
+
+# print("multicomponent_constraints_data ", multicomponent_constraints_data)
+
+from multicomponent_mu_range import mu_range
+
+ref_linestyles = ["-", "--"]
+other_linestyles = [":", "-."]
+struct_colors = ["red", "blue", "orange", "green", "brown", "grey", "magenta", "cyan"]
+ref_model_name = default_analysis_settings["ref_model"]
+
+# read and parse all data
+rss_data = read_properties(models, tests, args.test_set)
+
+print(rss_data)
+
+# ace_name = "pACE_B8_N4_18_rid_1.20"
+
+A, B = (
+ rss_data[ref_model_name]["gap_6_rss_like_open_ended_minima_rerelax_sd2"][
+ "V_unrelaxed"
+ ],
+ rss_data[ref_model_name]["gap_6_rss_like_open_ended_minima_rerelax_sd2"][
+ "E_unrelaxed"
+ ],
+)
+C, D = (
+ rss_data[ref_model_name]["gap_6_rss_like_open_ended_minima_rerelax_sd2"][
+ "V_relaxed"
+ ],
+ rss_data[ref_model_name]["gap_6_rss_like_open_ended_minima_rerelax_sd2"][
+ "E_relaxed"
+ ],
+)
+
+
+from matplotlib.collections import LineCollection
+
+
+f, (a0, a1) = plt.subplots(2, 1, gridspec_kw={"height_ratios": [3, 1]}, figsize=(5, 7))
+
+a0.plot(A, B, "_", marker="o", color="grey", markersize=2, label="CASTEP_unrelaxed")
+a0.plot(C, D, "_", marker="o", color="black", markersize=2, label="CASTEP_relaxed")
+L = list(zip(list(zip(A, B)), list(zip(C, D))))
+lc = LineCollection(L, colors=["grey"], linewidth=0.5)
+a0.add_collection(lc)
+
+K = []
+K.append(D)
+histcolors = ["black"]
+
+for (i, model) in enumerate(models):
+ if model != ref_model_name:
+ C, D = (
+ rss_data[model]["gap_6_rss_like_open_ended_minima_rerelax_sd2"][
+ "V_relaxed"
+ ],
+ rss_data[model]["gap_6_rss_like_open_ended_minima_rerelax_sd2"][
+ "E_relaxed"
+ ],
+ )
+ L = list(zip(list(zip(A, B)), list(zip(C, D))))
+ lc = LineCollection(L, colors=["grey"], linewidth=0.5)
+ a0.add_collection(lc)
+ a0.plot(
+ C, D, "_", marker="o", color=struct_colors[i], markersize=2, label=model
+ )
+ histcolors.append(struct_colors[i])
+ K.append(D)
+ # a1.hist(D, color=struct_colors[i], label=model, bins=15, alpha=0.8)
+
+# a1.hist(D, color="black", label="CASTEP_relaxed", bins=15, alpha=0.8)
+a1.hist(K, color=histcolors, bins=18)
+a1.set_xlabel("Energy (ev/Atom)")
+a1.set_ylabel("Occurence")
+a0.set_ylabel("Energy (ev/Atom)")
+a0.set_xlabel("Volume [A^3/Atom]")
+
+a0.legend()
+# plt.xlabel("Volumes [A^3]")
+# plt.ylabel("Energy [eV/atom]")
+# plt.xlim(10, 75)
+# plt.ylim(-164.5, -161.5)
+plt.savefig("RSS.pdf")
diff --git a/scripts/analyze_RSS_random.py b/testingframework/scripts/analyze_RSS_random.py
similarity index 79%
rename from scripts/analyze_RSS_random.py
rename to testingframework/scripts/analyze_RSS_random.py
index 4509a27fa..88a6eceff 100644
--- a/scripts/analyze_RSS_random.py
+++ b/testingframework/scripts/analyze_RSS_random.py
@@ -5,10 +5,12 @@
from ase.units import _k
import matplotlib.pyplot as plt
-(args, models, tests, default_analysis_settings) = analyze_start('RSS')
+(args, models, tests, default_analysis_settings) = analyze_start("RSS")
try:
- (mcc_compositions, mcc_energies) = get_multicomponent_constraints(args.test_set, models, default_analysis_settings["multicomponent_constraints"])
+ (mcc_compositions, mcc_energies) = get_multicomponent_constraints(
+ args.test_set, models, default_analysis_settings["multicomponent_constraints"]
+ )
except:
(mcc_compositions, mcc_energies) = (None, None)
@@ -16,9 +18,9 @@
from multicomponent_mu_range import mu_range
-ref_linestyles=[ "-", "--" ]
-other_linestyles=[ ":", "-." ]
-struct_colors = [ "red", "blue", "orange", "green", "brown", "grey", "magenta","cyan" ]
+ref_linestyles = ["-", "--"]
+other_linestyles = [":", "-."]
+struct_colors = ["red", "blue", "orange", "green", "brown", "grey", "magenta", "cyan"]
ref_model_name = default_analysis_settings["ref_model"]
# read and parse all data
@@ -28,11 +30,17 @@
ace_name = "ACE_B8_N4_18_lap_1.1"
-print(len(rss_data[ace_name]['RSS']["volumes"]))
-print(len(rss_data['GAP']['RSS']["volumes"]))
+print(len(rss_data[ace_name]["RSS"]["volumes"]))
+print(len(rss_data["GAP"]["RSS"]["volumes"]))
-plt.scatter(rss_data[ace_name]['RSS']["volumes"], rss_data[ace_name]['RSS']["energies"], label="ACE")
-plt.scatter(rss_data["GAP"]['RSS']["volumes"], rss_data["GAP"]["RSS"]["energies"], label="GAP")
+plt.scatter(
+ rss_data[ace_name]["RSS"]["volumes"],
+ rss_data[ace_name]["RSS"]["energies"],
+ label="ACE",
+)
+plt.scatter(
+ rss_data["GAP"]["RSS"]["volumes"], rss_data["GAP"]["RSS"]["energies"], label="GAP"
+)
plt.legend()
plt.xlim(10, 75)
plt.ylim(-163.4, -161.5)
diff --git a/scripts/analyze_bar_plot.py b/testingframework/scripts/analyze_bar_plot.py
similarity index 54%
rename from scripts/analyze_bar_plot.py
rename to testingframework/scripts/analyze_bar_plot.py
index 937461793..b1433fadd 100644
--- a/scripts/analyze_bar_plot.py
+++ b/testingframework/scripts/analyze_bar_plot.py
@@ -5,18 +5,30 @@
from ase.units import _k
import matplotlib.pyplot as plt
-(args, models, tests, default_analysis_settings) = analyze_start('bulk_Si_diamond')
+(args, models, tests, default_analysis_settings) = analyze_start("bulk_Si_diamond")
bulk_data = read_properties(models, tests, args.test_set)
-(args, models, tests, default_analysis_settings) = analyze_start('surface_Si_diamond_*')
+(args, models, tests, default_analysis_settings) = analyze_start("surface_Si_diamond_*")
surface_data = read_properties(models, tests, args.test_set)
-(args, models, tests, default_analysis_settings) = analyze_start('point_defect_Si_diamond_*')
+(args, models, tests, default_analysis_settings) = analyze_start(
+ "point_defect_Si_diamond_*"
+)
point_defect_data = read_properties(models, tests, args.test_set)
-ref_linestyles=[ "-", "--" ]
-other_linestyles=[ ":", "-." ]
-struct_colors = [ "black", "red", "blue", "orange", "green", "brown", "grey", "magenta","cyan" ]
+ref_linestyles = ["-", "--"]
+other_linestyles = [":", "-."]
+struct_colors = [
+ "black",
+ "red",
+ "blue",
+ "orange",
+ "green",
+ "brown",
+ "grey",
+ "magenta",
+ "cyan",
+]
ref_model_name = default_analysis_settings["ref_model"]
all_data = {}
@@ -36,24 +48,32 @@
all_data[model]["surf_E_110"] = surface_data[model]["surface_Si_diamond_110"]["Ef"]
all_data[model]["surf_E_111"] = surface_data[model]["surface_Si_diamond_111"]["Ef"]
- all_data[model]["point_defect_Si_diamond_interstitial_tetr"] = point_defect_data[model]["point_defect_Si_diamond_interstitial_tetr"]["defects"]["Z_14"]["Ef"]
- all_data[model]["point_defect_Si_diamond_vacancy"] = point_defect_data[model]["point_defect_Si_diamond_vacancy"]["defects"]["ind_0_Z_14"]["Ef"]
- all_data[model]["point_defect_Si_diamond_interstitial_hex"] = point_defect_data[model]["point_defect_Si_diamond_interstitial_hex"]["defects"]["Z_14"]["Ef"]
- #print()
- all_data[model]["point_defect_Si_diamond_interstitial_dumb"] = point_defect_data[model]["point_defect_Si_diamond_interstitial_dumb"]["dumbbell_interstitial_energy"]
+ all_data[model]["point_defect_Si_diamond_interstitial_tetr"] = point_defect_data[
+ model
+ ]["point_defect_Si_diamond_interstitial_tetr"]["defects"]["Z_14"]["Ef"]
+ all_data[model]["point_defect_Si_diamond_vacancy"] = point_defect_data[model][
+ "point_defect_Si_diamond_vacancy"
+ ]["defects"]["ind_0_Z_14"]["Ef"]
+ all_data[model]["point_defect_Si_diamond_interstitial_hex"] = point_defect_data[
+ model
+ ]["point_defect_Si_diamond_interstitial_hex"]["defects"]["Z_14"]["Ef"]
+ # print()
+ all_data[model]["point_defect_Si_diamond_interstitial_dumb"] = point_defect_data[
+ model
+ ]["point_defect_Si_diamond_interstitial_dumb"]["dumbbell_interstitial_energy"]
latex_dict = {
- 'B' : '$B$',
- 'c11' :'$C_{11}$',
- 'c12' :'$C_{12}$',
- 'c44' :'$C_{44}$',
- 'point_defect_Si_diamond_vacancy' : '$\\mathrm{vac}$',
- 'point_defect_Si_diamond_interstitial_hex' : '$\\mathrm{hex.\\ int.}$',
- 'point_defect_Si_diamond_interstitial_tetr' : '$\\mathrm{tetr.\\ int.}$',
- 'point_defect_Si_diamond_interstitial_dumb' : '$\\mathrm{dumb.\\ int.}$',
- 'surf_E_111' : '$(111)$',
- 'surf_E_110': '$(110)$',
- 'surf_E_100': '$(100)$'
+ "B": "$B$",
+ "c11": "$C_{11}$",
+ "c12": "$C_{12}$",
+ "c44": "$C_{44}$",
+ "point_defect_Si_diamond_vacancy": "$\\mathrm{vac}$",
+ "point_defect_Si_diamond_interstitial_hex": "$\\mathrm{hex.\\ int.}$",
+ "point_defect_Si_diamond_interstitial_tetr": "$\\mathrm{tetr.\\ int.}$",
+ "point_defect_Si_diamond_interstitial_dumb": "$\\mathrm{dumb.\\ int.}$",
+ "surf_E_111": "$(111)$",
+ "surf_E_110": "$(110)$",
+ "surf_E_100": "$(100)$",
}
test_names = []
@@ -61,17 +81,20 @@
for model in models:
if model != ref_model_name:
for obs in all_data[model].keys():
- #if obs != "surf_E_110": ####
+ # if obs != "surf_E_110": ####
test_names.append(latex_dict[obs])
- all_data[model][obs] = ((all_data[model][obs] - all_data[ref_model_name][obs])/all_data[ref_model_name][obs]) * 100
+ all_data[model][obs] = (
+ (all_data[model][obs] - all_data[ref_model_name][obs])
+ / all_data[ref_model_name][obs]
+ ) * 100
print(all_data)
fig = plt.figure(figsize=(12, 5))
-ax1 = fig.add_subplot(111, projection='3d')
+ax1 = fig.add_subplot(111, projection="3d")
-_x = np.arange(1 )
-_y = np.arange(len(all_data[ref_model_name].keys())) ###
+_x = np.arange(1)
+_y = np.arange(len(all_data[ref_model_name].keys())) ###
_xx, _yy = np.meshgrid(_x, _y)
y, x = _xx.ravel(), _yy.ravel()
@@ -84,33 +107,39 @@
models.remove(ref_model_name)
-for (i,model) in enumerate(sorted(models)):
- #if model != ref_model_name:
- plot_d = [(key, value) for (key,value) in all_data[model].items() ]#if key != "surf_E_110"] ####
+for (i, model) in enumerate(sorted(models)):
+ # if model != ref_model_name:
+ plot_d = [
+ (key, value) for (key, value) in all_data[model].items()
+ ] # if key != "surf_E_110"] ####
top = [abs(d[1]) for d in plot_d]
bottom = np.zeros_like(top)
ax1.bar3d(x, y, bottom, width, depth, top, shade=True)
- model_vals.append(i*width)
+ model_vals.append(i * width)
model_ticks.append(model)
y = [_y + width for _y in y]
ax1.view_init(55, -80)
-ax1.set_ylim(0,((width+depth)/2.0)*(len(models)))
+ax1.set_ylim(0, ((width + depth) / 2.0) * (len(models)))
ax1.set_zlabel("Percentage Error [%]")
# ax1.zaxis._set_scale('log')
#
# print(test_names)
-plt.xticks([i for i in range(len(all_data[ref_model_name].items()))], test_names, rotation=30, ha='right')
-plt.yticks(model_vals, model_ticks, ha='left', va='center')
+plt.xticks(
+ [i for i in range(len(all_data[ref_model_name].items()))],
+ test_names,
+ rotation=30,
+ ha="right",
+)
+plt.yticks(model_vals, model_ticks, ha="left", va="center")
plt.savefig("bar_plot.pdf")
-
# fig = plt.figure(figsize=(8, 3))
# for model in models:
# if model != ref_model_name:
diff --git a/scripts/analyze_bulks.py b/testingframework/scripts/analyze_bulks.py
similarity index 50%
rename from scripts/analyze_bulks.py
rename to testingframework/scripts/analyze_bulks.py
index 8376e3ab4..5f67daacd 100755
--- a/scripts/analyze_bulks.py
+++ b/testingframework/scripts/analyze_bulks.py
@@ -1,7 +1,8 @@
#!/usr/bin/env python
import matplotlib
-matplotlib.use('PDF')
+
+matplotlib.use("PDF")
from matplotlib.pyplot import *
import json
@@ -11,13 +12,25 @@
import math
import re
-(args, models, bulk_tests, default_analysis_settings) = analyze_start('bulk_*')
+(args, models, bulk_tests, default_analysis_settings) = analyze_start("bulk_*")
-ref_linestyles=[ "-", "--" ]
-other_linestyles=[ ":", "-." ]
-struct_colors = [ "black", "red", "blue", "cyan", "orange", "magenta", "green", "grey", "brown" ]
+ref_linestyles = ["-", "--"]
+other_linestyles = [":", "-."]
+struct_colors = [
+ "black",
+ "red",
+ "blue",
+ "cyan",
+ "orange",
+ "magenta",
+ "green",
+ "grey",
+ "brown",
+]
-element_ref_struct_data = get_element_ref_structs(args.test_set, models, default_analysis_settings["element_ref_struct"])
+element_ref_struct_data = get_element_ref_structs(
+ args.test_set, models, default_analysis_settings["element_ref_struct"]
+)
# read and parse all data
data = {}
@@ -30,7 +43,11 @@
sys.stderr.write(" reading data for test {}\n".format(bulk_test_name))
# read bulk test structure
- struct_filename = get_matching_from_test_sets(args.test_set, "model-{}-test-{}-relaxed.xyz".format(model_name, bulk_test_name), unique=True)
+ struct_filename = get_matching_from_test_sets(
+ args.test_set,
+ "model-{}-test-{}-relaxed.xyz".format(model_name, bulk_test_name),
+ unique=True,
+ )
try:
struct = ase.io.read(struct_filename, format="extxyz")
except:
@@ -38,7 +55,11 @@
continue
# read bulk test properties
- prop_filename = get_matching_from_test_sets(args.test_set, "model-{}-test-{}-properties.json".format(model_name, bulk_test_name), unique=True)
+ prop_filename = get_matching_from_test_sets(
+ args.test_set,
+ "model-{}-test-{}-properties.json".format(model_name, bulk_test_name),
+ unique=True,
+ )
try:
with open(prop_filename, "r") as model_data_file:
json_data = json.load(model_data_file)
@@ -57,21 +78,25 @@
E0 = 0.0
for Z in elements_present:
symb = chemical_symbols[Z]
- print("looking for min E ",symb,model_name)
+ print("looking for min E ", symb, model_name)
try:
E = element_ref_struct_data[symb]["min_Es"][model_name]
- E0 += sum(struct.get_atomic_numbers() == Z)*E
+ E0 += sum(struct.get_atomic_numbers() == Z) * E
except:
pass
E0 /= len(struct)
# shift E_vs_V
E_vs_V_orig = cur_model_data[bulk_test_name]["E_vs_V"]
- cur_model_data[bulk_test_name]["relative_E_vs_V"] = [ [ EV[0], EV[1]-E0] for EV in E_vs_V_orig ]
+ cur_model_data[bulk_test_name]["relative_E_vs_V"] = [
+ [EV[0], EV[1] - E0] for EV in E_vs_V_orig
+ ]
if not bulk_test_name in struct_data:
struct_data[bulk_test_name] = {}
- struct_data[bulk_test_name]["formula_unit"] = formula_unit(struct.get_atomic_numbers())
+ struct_data[bulk_test_name]["formula_unit"] = formula_unit(
+ struct.get_atomic_numbers()
+ )
# print("got data for ",model_name, cur_model_data.keys())
data[model_name] = cur_model_data.copy()
@@ -89,17 +114,21 @@
bulk_inds = {}
for bulk_test_name in bulk_tests:
try:
- min_EV = min(data[model_name][bulk_test_name]["E_vs_V"], key = lambda x : x[1])
+ min_EV = min(data[model_name][bulk_test_name]["E_vs_V"], key=lambda x: x[1])
except:
- print("no data for",model_name,bulk_test_name)
+ print("no data for", model_name, bulk_test_name)
continue
- print("BULK_E_V_MIN",model_name,bulk_test_name, min_EV[0], min_EV[1])
+ print("BULK_E_V_MIN", model_name, bulk_test_name, min_EV[0], min_EV[1])
# loop for absolute E(V) curves
for bulk_test_name in bulk_tests:
print(" bulk_test_name", bulk_test_name)
if bulk_test_name not in data[model_name]:
- sys.stderr.write("skipping struct {} in plotting model {}\n".format(bulk_test_name, model_name))
+ sys.stderr.write(
+ "skipping struct {} in plotting model {}\n".format(
+ bulk_test_name, model_name
+ )
+ )
continue
fu = ""
for (Z, i) in struct_data[bulk_test_name]["formula_unit"]:
@@ -116,41 +145,79 @@
else:
bulk_inds[fu] += 1
- ref_linestyle = ref_linestyles[int(math.floor(bulk_inds[fu]/len(struct_colors)))]
- other_linestyle = other_linestyles[int(math.floor(bulk_inds[fu]/len(struct_colors)))]
+ ref_linestyle = ref_linestyles[
+ int(math.floor(bulk_inds[fu] / len(struct_colors)))
+ ]
+ other_linestyle = other_linestyles[
+ int(math.floor(bulk_inds[fu] / len(struct_colors)))
+ ]
color = struct_colors[bulk_inds[fu] % len(struct_colors)]
if model_name != ref_model_name:
if bulk_test_name not in data[ref_model_name]:
- label=bulk_test_name
+ label = bulk_test_name
else:
- label=None
- line, = plot( [x[0] for x in data[model_name][bulk_test_name]["E_vs_V"]], [x[1] for x in data[model_name][bulk_test_name]["E_vs_V"]], other_linestyle, label=label)
+ label = None
+ (line,) = plot(
+ [x[0] for x in data[model_name][bulk_test_name]["E_vs_V"]],
+ [x[1] for x in data[model_name][bulk_test_name]["E_vs_V"]],
+ other_linestyle,
+ label=label,
+ )
line.set_color(color)
- line.set_marker('o')
+ line.set_marker("o")
line.set_markersize(2.5)
try:
- line, = plot( [x[0] for x in data[ref_model_name][bulk_test_name]["E_vs_V"]], [x[1]-args.REF_E_offset for x in data[ref_model_name][bulk_test_name]["E_vs_V"]], ref_linestyle, label=bulk_test_name)
+ (line,) = plot(
+ [x[0] for x in data[ref_model_name][bulk_test_name]["E_vs_V"]],
+ [
+ x[1] - args.REF_E_offset
+ for x in data[ref_model_name][bulk_test_name]["E_vs_V"]
+ ],
+ ref_linestyle,
+ label=bulk_test_name,
+ )
except Exception as e:
print("exception ", str(e))
- print("no data for struct",bulk_test_name,"ref model",ref_model_name)
+ print("no data for struct", bulk_test_name, "ref model", ref_model_name)
pass
line.set_color(color)
# make elastic constants table
- sorted_consts = sorted([k for k in data[model_name][bulk_test_name].keys() if (re.match("^c[0-9][0-9]$",k) or k == 'B') ])
+ sorted_consts = sorted(
+ [
+ k
+ for k in data[model_name][bulk_test_name].keys()
+ if (re.match("^c[0-9][0-9]$", k) or k == "B")
+ ]
+ )
if bulk_test_name not in elastic_const_tables:
- elastic_const_tables[bulk_test_name] = "\\begin{tabular}{ l l " + " ".join(["c"]*len(sorted_consts))+" }\n"
- elastic_const_tables[bulk_test_name] += "model & struct & " + " & ".join(sorted_consts)
- elastic_const_tables[bulk_test_name] += " \\\\\n" + model_name.replace("_","\\_")+" & " +bulk_test_name.replace("bulk_","").replace("_"," ") + " & " + " & ".join(["{0:.1f}".format(data[model_name][bulk_test_name][k]) for k in sorted_consts])
+ elastic_const_tables[bulk_test_name] = (
+ "\\begin{tabular}{ l l " + " ".join(["c"] * len(sorted_consts)) + " }\n"
+ )
+ elastic_const_tables[bulk_test_name] += "model & struct & " + " & ".join(
+ sorted_consts
+ )
+ elastic_const_tables[bulk_test_name] += (
+ " \\\\\n"
+ + model_name.replace("_", "\\_")
+ + " & "
+ + bulk_test_name.replace("bulk_", "").replace("_", " ")
+ + " & "
+ + " & ".join(
+ [
+ "{0:.1f}".format(data[model_name][bulk_test_name][k])
+ for k in sorted_consts
+ ]
+ )
+ )
for fu in figure_nums:
figure(figure_nums[fu])
- legend()#loc="center left", bbox_to_anchor=[1, 0.5])
+ legend() # loc="center left", bbox_to_anchor=[1, 0.5])
xlabel("V ($A^3$/atom)")
ylabel("E (eV/atom)")
- savefig("{}_{}_bulk.pdf".format(model_name,fu), bbox_inches='tight')
-
+ savefig("{}_{}_bulk.pdf".format(model_name, fu), bbox_inches="tight")
# loop for relative to min E elementals E(V) curves
figure_nums = {}
@@ -158,7 +225,11 @@
for bulk_test_name in bulk_tests:
print(" bulk_test_name", bulk_test_name)
if bulk_test_name not in data[model_name]:
- sys.stderr.write("skipping struct {} in plotting model {}\n".format(bulk_test_name, model_name))
+ sys.stderr.write(
+ "skipping struct {} in plotting model {}\n".format(
+ bulk_test_name, model_name
+ )
+ )
continue
fu = ""
for (Z, i) in struct_data[bulk_test_name]["formula_unit"]:
@@ -175,24 +246,41 @@
else:
bulk_inds[fu] += 1
- ref_linestyle = ref_linestyles[int(math.floor(bulk_inds[fu]/len(struct_colors)))]
- other_linestyle = other_linestyles[int(math.floor(bulk_inds[fu]/len(struct_colors)))]
+ ref_linestyle = ref_linestyles[
+ int(math.floor(bulk_inds[fu] / len(struct_colors)))
+ ]
+ other_linestyle = other_linestyles[
+ int(math.floor(bulk_inds[fu] / len(struct_colors)))
+ ]
color = struct_colors[bulk_inds[fu] % len(struct_colors)]
if model_name != ref_model_name:
if bulk_test_name not in data[ref_model_name]:
- label=bulk_test_name
+ label = bulk_test_name
else:
- label=None
- line, = plot( [x[0] for x in data[model_name][bulk_test_name]["relative_E_vs_V"]], [x[1] for x in data[model_name][bulk_test_name]["relative_E_vs_V"]], other_linestyle, label=label)
+ label = None
+ (line,) = plot(
+ [x[0] for x in data[model_name][bulk_test_name]["relative_E_vs_V"]],
+ [x[1] for x in data[model_name][bulk_test_name]["relative_E_vs_V"]],
+ other_linestyle,
+ label=label,
+ )
line.set_color(color)
- line.set_marker('o')
+ line.set_marker("o")
line.set_markersize(2.5)
try:
- line, = plot( [x[0] for x in data[ref_model_name][bulk_test_name]["relative_E_vs_V"]], [x[1]-args.REF_E_offset for x in data[ref_model_name][bulk_test_name]["relative_E_vs_V"]], ref_linestyle, label=bulk_test_name)
+ (line,) = plot(
+ [x[0] for x in data[ref_model_name][bulk_test_name]["relative_E_vs_V"]],
+ [
+ x[1] - args.REF_E_offset
+ for x in data[ref_model_name][bulk_test_name]["relative_E_vs_V"]
+ ],
+ ref_linestyle,
+ label=bulk_test_name,
+ )
except Exception as e:
print("exception ", str(e))
- print("no data for struct",bulk_test_name,"ref model",ref_model_name)
+ print("no data for struct", bulk_test_name, "ref model", ref_model_name)
pass
line.set_color(color)
@@ -201,16 +289,19 @@
xl = xlim()
yl = ylim()
if ylim()[0] < 0.0 and ylim()[1] > 0.0:
- plot(xlim(), [0.0, 0.0], '--', color='grey', label=None)
+ plot(xlim(), [0.0, 0.0], "--", color="grey", label=None)
xlim(xl)
ylim(yl)
- legend()#loc="center left", bbox_to_anchor=[1, 0.5])
+ legend() # loc="center left", bbox_to_anchor=[1, 0.5])
xlabel("V ($A^3$/atom)")
ylabel("relative E (eV/atom)")
- savefig("{}_{}_bulk_relative_to_elems.pdf".format(model_name,fu), bbox_inches='tight')
+ savefig(
+ "{}_{}_bulk_relative_to_elems.pdf".format(model_name, fu),
+ bbox_inches="tight",
+ )
print("")
for struct in elastic_const_tables:
- print("table for struct",struct)
- print(elastic_const_tables[struct]+"\n\\end{tabular}\n")
+ print("table for struct", struct)
+ print(elastic_const_tables[struct] + "\n\\end{tabular}\n")
diff --git a/testingframework/scripts/analyze_chemical_order.py b/testingframework/scripts/analyze_chemical_order.py
new file mode 100755
index 000000000..9597bca7b
--- /dev/null
+++ b/testingframework/scripts/analyze_chemical_order.py
@@ -0,0 +1,127 @@
+#!/usr/bin/env python
+
+import matplotlib
+
+matplotlib.use("PDF")
+from matplotlib.pyplot import *
+
+import json
+import ase.io
+from ase.data import chemical_symbols
+from analyze_utils import *
+import math
+
+(args, models, chem_order_tests, default_analysis_settings) = analyze_start(
+ "chemical_order_*"
+)
+print("got tests", chem_order_tests)
+ref_model_name = default_analysis_settings["ref_model"]
+
+# read and parse all data
+data = {}
+for model_name in models:
+ sys.stderr.write("reading data for model {}\n".format(model_name))
+ cur_model_data = {}
+ for chem_order_test_name in chem_order_tests:
+ sys.stderr.write(" reading data for test {}\n".format(chem_order_test_name))
+
+ # read chem_order test properties
+ prop_filename = "{}-model-{}-test-{}-properties.json".format(
+ args.test_set, model_name, chem_order_test_name
+ )
+ try:
+ with open(prop_filename, "r") as model_data_file:
+ json_data = json.load(model_data_file)
+ except:
+ sys.stderr.write("No properties file '{}'\n".format(prop_filename))
+ continue
+
+ cur_model_data[chem_order_test_name] = json_data.copy()
+
+ if len(cur_model_data.keys()) > 0:
+ print("got data for ", model_name, cur_model_data.keys())
+ data[model_name] = cur_model_data.copy()
+
+n_fig = 0
+figure_nums = {}
+for (model_i, model_name) in enumerate(sorted(data)):
+ print("plot model", model_name, data[model_name])
+
+ for chem_order_test_name in chem_order_tests:
+ if chem_order_test_name not in figure_nums:
+ n_fig += 1
+ figure_nums[chem_order_test_name] = n_fig
+ figure(figure_nums[chem_order_test_name])
+ if chem_order_test_name not in data[model_name]:
+ sys.stderr.write(
+ "skipping struct {} in plotting model {}\n".format(
+ chem_order_test_name, model_name
+ )
+ )
+ continue
+
+ if model_name != ref_model_name:
+ if "unrelaxed_energy_per_atom" in data[model_name][chem_order_test_name]:
+ (line,) = plot(
+ data[ref_model_name][chem_order_test_name][
+ "unrelaxed_energy_per_atom"
+ ],
+ data[model_name][chem_order_test_name]["unrelaxed_energy_per_atom"],
+ " ",
+ color="C{}".format(model_i),
+ label="{} {} unrelaxed".format(model_name, chem_order_test_name),
+ )
+ line.set_marker("o")
+ line.set_markerfacecolor("None")
+ line.set_markersize(4.0)
+ if "relaxed_energy_per_atom" in data[model_name][chem_order_test_name]:
+ (line,) = plot(
+ data[ref_model_name][chem_order_test_name][
+ "relaxed_energy_per_atom"
+ ],
+ data[model_name][chem_order_test_name]["relaxed_energy_per_atom"],
+ " ",
+ color="C{}".format(model_i),
+ label="{} {} relaxed".format(model_name, chem_order_test_name),
+ )
+ line.set_marker("o")
+ line.set_markersize(4.0)
+
+for chem_order_test_name in figure_nums:
+ figure(figure_nums[chem_order_test_name])
+ legend(loc="center left", bbox_to_anchor=[1, 0.5])
+ xlabel("ref E (eV/atom)")
+ ylabel("E (eV/atom)")
+ x_range = (
+ min(data[ref_model_name][chem_order_test_name]["unrelaxed_energy_per_atom"]),
+ max(data[ref_model_name][chem_order_test_name]["unrelaxed_energy_per_atom"]),
+ )
+ try:
+ x_range = (
+ min(
+ x_range[0],
+ min(
+ data[ref_model_name][chem_order_test_name][
+ "relaxed_energy_per_atom"
+ ]
+ ),
+ ),
+ max(
+ x_range[1],
+ max(
+ data[ref_model_name][chem_order_test_name][
+ "relaxed_energy_per_atom"
+ ]
+ ),
+ ),
+ )
+ except:
+ pass
+ plot(
+ [x_range[0], x_range[1]],
+ [x_range[0], x_range[1]],
+ "--",
+ color="black",
+ label=None,
+ )
+ savefig("{}_scatterplot.pdf".format(chem_order_test_name), bbox_inches="tight")
diff --git a/testingframework/scripts/analyze_decoh.py b/testingframework/scripts/analyze_decoh.py
new file mode 100644
index 000000000..9751fd62f
--- /dev/null
+++ b/testingframework/scripts/analyze_decoh.py
@@ -0,0 +1,88 @@
+#!/usr/bin/env python
+
+from analyze_utils import *
+import numpy as np
+from ase.units import _k
+import matplotlib.pyplot as plt
+
+(args, models, tests, default_analysis_settings) = analyze_start("surface-decohesion-*")
+
+try:
+ (mcc_compositions, mcc_energies) = get_multicomponent_constraints(
+ args.test_set, models, default_analysis_settings["multicomponent_constraints"]
+ )
+except:
+ (mcc_compositions, mcc_energies) = (None, None)
+
+# print("multicomponent_constraints_decoh_data ", multicomponent_constraints_decoh_data)
+
+from multicomponent_mu_range import mu_range
+
+ref_linestyles = ["-", "--"]
+other_linestyles = [":", "-."]
+struct_colors = [
+ "black",
+ "red",
+ "blue",
+ "orange",
+ "green",
+ "brown",
+ "grey",
+ "magenta",
+ "cyan",
+]
+ref_model_name = default_analysis_settings["ref_model"]
+
+# read and parse all decoh_data
+decoh_data = read_properties(models, tests, args.test_set)
+
+for test in tests:
+ ref_opening = decoh_data[ref_model_name][test][
+ "surface_decohesion_unrelaxed_opening"
+ ]
+ ref_energy = decoh_data[ref_model_name][test]["surface_decohesion_unrelaxed_energy"]
+ ref_stress = decoh_data[ref_model_name][test]["surface_decohesion_unrelaxed_stress"]
+
+ # f, (ax1, ax2) = plt.subplots(1, 2, figsize=(12,5))
+ f, (ax1, ax2) = plt.subplots(2, 1, figsize=(5, 6))
+
+ ax1.plot(
+ ref_opening,
+ ref_energy,
+ label=ref_model_name,
+ linestyle=ref_linestyles[0],
+ color="black",
+ )
+ # ax1.set_xlabel("Unrelaxed opening ($\AA$)")
+ ax1.set_ylabel("Energy (eV)")
+ ax2.plot(
+ ref_opening,
+ ref_stress,
+ label=ref_model_name,
+ linestyle=ref_linestyles[0],
+ color="black",
+ )
+ ax2.set_xlabel("Unrelaxed opening ($\AA$)")
+ ax2.set_ylabel(r"Stress (eV/$\AA$)")
+
+ i = 0
+ for model in sorted(decoh_data.keys()):
+ if bool(decoh_data[model]) is True and model != ref_model_name:
+ i += 1
+ ax1.plot(
+ decoh_data[model][test]["surface_decohesion_unrelaxed_opening"],
+ decoh_data[model][test]["surface_decohesion_unrelaxed_energy"],
+ label=model,
+ color=struct_colors[i],
+ ) # , linestyle=other_linestyles[0])
+ ax2.plot(
+ decoh_data[model][test]["surface_decohesion_unrelaxed_opening"],
+ decoh_data[model][test]["surface_decohesion_unrelaxed_stress"],
+ label=model,
+ color=struct_colors[i],
+ ) # , linestyle=other_linestyles[0])
+
+ # plt.title(test)
+ ax1.legend()
+ plt.tight_layout()
+ plt.savefig("{}.pdf".format(test), bbox_inches="tight") ####
diff --git a/testingframework/scripts/analyze_phonon.py b/testingframework/scripts/analyze_phonon.py
new file mode 100644
index 000000000..81131909c
--- /dev/null
+++ b/testingframework/scripts/analyze_phonon.py
@@ -0,0 +1,242 @@
+#!/usr/bin/env python
+
+import numpy as np
+from analyze_utils import *
+import matplotlib
+
+matplotlib.use("PDF")
+from matplotlib import pyplot
+
+import phonopy
+import ase.units
+
+(args, models, tests, default_analysis_settings) = analyze_start(["phonon_bulks"])
+
+data = read_properties(models, tests, args.test_set)
+
+ref_model_name = default_analysis_settings["ref_model"]
+
+
+def analyze_phonons(m_data):
+ THz_per_invcm = ase.units._c * 1.0e-10
+
+ at0 = ase.atoms.Atoms(
+ symbols=m_data["symb"],
+ scaled_positions=np.asarray(m_data["scaled_pos"]),
+ masses=np.asarray(m_data["m"]),
+ cell=np.asarray(m_data["c"]),
+ pbc=[True] * 3,
+ )
+ phonopy_atoms = phonopy.structure.atoms.PhonopyAtoms(
+ symbols=m_data["symb"],
+ scaled_positions=np.asarray(m_data["scaled_pos"]),
+ masses=np.asarray(m_data["m"]),
+ cell=np.asarray(m_data["c"]),
+ )
+ phonons = phonopy.Phonopy(
+ phonopy_atoms, m_data["n_cell"], factor=m_data["unit_factor"]
+ )
+ phonons.generate_displacements(distance=m_data["dx"])
+
+ phonons.produce_force_constants(
+ forces=np.asarray(m_data["all_forces"]), calculate_full_force_constants=True
+ )
+ phonons.symmetrize_force_constants()
+
+ # DOS
+ n_dos_mesh = 16
+ phonons.run_mesh([n_dos_mesh] * 3)
+
+ phonons.run_total_dos()
+ frequencies = phonons.get_total_dos_dict()["frequency_points"]
+ PHdos = phonons.get_total_dos_dict()["total_dos"]
+
+ # contains by columns the frequencies in cm^{-1} and the vDOS
+ # the vDOS ins in units of "number of states/(unit cell x frequency[cm^{-1}])"
+ # i.e. if you integrate the vDOS throughout frequency, it will be 3N, where N is the number of atoms in the unit cell
+ m_data["DOS"] = {"freq": frequencies / THz_per_invcm, "val": PHdos * THz_per_invcm}
+
+ # band path
+ if "band_path" in m_data:
+ band_path = m_data["band_path"]
+ band_n = [20]
+
+ lat = at0.get_cell().get_bravais_lattice()
+ special_points = lat.get_special_points()
+ path_pts = []
+ path_labels = []
+ pt = []
+ for s in " ".join(band_path).split():
+ try:
+ qi = float(s)
+ pt.append(qi)
+ except:
+ if len(pt) > 0:
+ raise RuntimeError("got non-float after 1 or more floats")
+ for p in s:
+ try:
+ path_pts.append(np.asarray(special_points[p]))
+ path_labels.append(p)
+ except KeyError:
+ raise RuntimeError(
+ "Failed to find special point {}, known {}".format(
+ p, special_points.keys()
+ )
+ )
+ if len(pt) == 3:
+ path_pts.append(np.asarray(pt))
+ path_labels.append("{:.2f}_{:.2f}_{:.2f}".format(*pt))
+ pt = []
+
+ if len(band_n) == 1:
+ band_n *= len(path_pts) - 1
+ assert len(band_n) == len(path_pts) - 1
+
+ q_pts = []
+ q_pt_labels = []
+ for (seg_i, (label, n, p0, p1)) in enumerate(
+ zip(path_labels[0:-1], band_n, path_pts[0:-1], path_pts[1:])
+ ):
+ for p_i in range(n):
+ x = float(p_i) / float(n)
+
+ q_pts.append((1.0 - x) * p0 + x * p1)
+
+ if p_i == 0:
+ q_pt_labels.append(label)
+ else:
+ q_pt_labels.append(".")
+
+ q_pts.append(path_pts[-1])
+ q_pt_labels.append(path_labels[-1])
+
+ phonons.run_band_structure([q_pts])
+ bs = phonons.get_band_structure_dict()
+ m_data["BAND_PATH"] = {
+ "positions": bs["distances"][0],
+ "frequencies": bs["frequencies"][0] / THz_per_invcm,
+ "labels": q_pt_labels,
+ }
+
+
+if ref_model_name in data and "phonons" in data[ref_model_name]:
+ for (bulk_i, bulk_struct_test) in enumerate(data[ref_model_name]["phonons"]):
+ print("analyze ref model", ref_model_name, bulk_struct_test)
+ analyze_phonons(data[ref_model_name]["phonons"][bulk_struct_test])
+
+bulk_struct_tests = []
+for model_name in models:
+ if model_name in data and "phonons" in data[model_name]:
+ for bulk_struct_test in data[model_name]["phonons"]:
+ if bulk_struct_test not in bulk_struct_tests:
+ bulk_struct_tests.append(bulk_struct_test)
+
+for model_name in models:
+ if model_name == ref_model_name and len(models) > 1:
+ continue
+ print("analyze model", model_name)
+ fig_DOS = pyplot.figure(figsize=(6, len(models) * 4))
+ for (bulk_i, bulk_struct_test) in enumerate(bulk_struct_tests):
+ if "phonons" not in data[model_name]:
+ continue
+
+ fig_BP = pyplot.figure()
+ ax_BP = fig_BP.add_subplot(
+ 1, 1, 1
+ ) # fig_BP.add_subplot(len(data[ref_model_name]["phonons"]),1,bulk_i+1)
+ ax_DOS = fig_DOS.add_subplot(len(data[model_name]["phonons"]), 1, bulk_i + 1)
+
+ try:
+ ref_model_data = data[ref_model_name]["phonons"][bulk_struct_test]
+ except:
+ ref_model_data = None
+
+ try:
+ model_data = data[model_name]["phonons"][bulk_struct_test]
+ except:
+ continue
+
+ print("analyze model-bulk", model_name, bulk_struct_test)
+ analyze_phonons(model_data)
+
+ if ref_model_data is not None and "DOS" in ref_model_data:
+ ax_DOS.plot(
+ ref_model_data["DOS"]["freq"],
+ ref_model_data["DOS"]["val"],
+ ":",
+ color="C{}".format(bulk_i),
+ label=ref_model_name,
+ )
+ if "DOS" in model_data:
+ ax_DOS.plot(
+ model_data["DOS"]["freq"],
+ model_data["DOS"]["val"],
+ "-",
+ color="C{}".format(bulk_i),
+ label=bulk_struct_test,
+ )
+ ax_DOS.set_xlabel("freq (cm$^{-1}$)")
+ ax_DOS.set_ylabel("DOS (arb. units)")
+ ylim = ax_DOS.get_ylim()
+ ax_DOS.set_ylim(0.0, ylim[1])
+ ax_DOS.legend()
+
+ if ref_model_data is not None and "BAND_PATH" in ref_model_data:
+ for i in range(ref_model_data["BAND_PATH"]["frequencies"].shape[1]):
+ ax_BP.plot(
+ ref_model_data["BAND_PATH"]["positions"],
+ ref_model_data["BAND_PATH"]["frequencies"][:, i],
+ ":",
+ color="C{}".format(bulk_i),
+ label=ref_model_name if i == 0 else None,
+ )
+ if "BAND_PATH" in model_data:
+ for i in range(model_data["BAND_PATH"]["frequencies"].shape[1]):
+ ax_BP.plot(
+ model_data["BAND_PATH"]["positions"],
+ model_data["BAND_PATH"]["frequencies"][:, i],
+ "-",
+ color="C{}".format(bulk_i),
+ label=model_name if i == 0 else None,
+ )
+
+ if bulk_i == len(bulk_struct_tests) - 1:
+ ax_BP.set_xlabel("BZ point")
+ ax_BP.set_ylabel("freq. (cm$^{-1}$)")
+ ax_BP.set_xticks(
+ [
+ p
+ for p, l in zip(
+ model_data["BAND_PATH"]["positions"],
+ model_data["BAND_PATH"]["labels"],
+ )
+ if l != "."
+ ]
+ )
+ ax_BP.set_xticklabels(
+ [l for l in model_data["BAND_PATH"]["labels"] if l != "."]
+ )
+ ax_BP.set_xlim(
+ model_data["BAND_PATH"]["positions"][0],
+ model_data["BAND_PATH"]["positions"][-1],
+ )
+ ylim = ax_BP.get_ylim()
+ for p, l in zip(
+ model_data["BAND_PATH"]["positions"][1:-1],
+ model_data["BAND_PATH"]["labels"][1:-1],
+ ):
+ if l != ".":
+ ax_BP.plot([p, p], ylim, "-", color="black", label=None)
+ ax_BP.set_ylim(ylim)
+ ax_BP.legend(loc="upper right")
+ ax_BP.axhline(color="black", linewidth=0.5)
+
+ ax_BP.set_title(bulk_struct_test)
+ fig_BP.savefig(
+ "phonons_BAND_PATH-" + model_name + "-" + bulk_struct_test + ".pdf"
+ )
+
+fig_DOS.savefig("phonons_DOS-" + model_name + ".pdf")
+pyplot.clf()
+
+print("")
diff --git a/testingframework/scripts/analyze_phonon_bulks.py b/testingframework/scripts/analyze_phonon_bulks.py
new file mode 100755
index 000000000..beb5c0f0e
--- /dev/null
+++ b/testingframework/scripts/analyze_phonon_bulks.py
@@ -0,0 +1,255 @@
+#!/usr/bin/env python
+
+import numpy as np
+from analyze_utils import *
+import matplotlib
+
+matplotlib.use("PDF")
+from matplotlib import pyplot
+
+import phonopy
+import ase.units
+
+(args, models, tests, default_analysis_settings) = analyze_start(["phonon_bulks_*"])
+
+data = read_properties(models, tests, args.test_set)
+
+ref_model_name = default_analysis_settings["ref_model"]
+
+
+def analyze_phonons(m_data):
+ THz_per_invcm = ase.units._c * 1.0e-10
+
+ at0 = ase.atoms.Atoms(
+ symbols=m_data["symb"],
+ scaled_positions=np.asarray(m_data["scaled_pos"]),
+ masses=np.asarray(m_data["m"]),
+ cell=np.asarray(m_data["c"]),
+ pbc=[True] * 3,
+ )
+ phonopy_atoms = phonopy.structure.atoms.PhonopyAtoms(
+ symbols=m_data["symb"],
+ scaled_positions=np.asarray(m_data["scaled_pos"]),
+ masses=np.asarray(m_data["m"]),
+ cell=np.asarray(m_data["c"]),
+ )
+ phonons = phonopy.Phonopy(
+ phonopy_atoms, m_data["n_cell"], factor=m_data["unit_factor"]
+ )
+ phonons.generate_displacements(distance=m_data["dx"])
+
+ phonons.produce_force_constants(
+ forces=np.asarray(m_data["all_forces"]), calculate_full_force_constants=True
+ )
+ phonons.symmetrize_force_constants()
+
+ # DOS
+ n_dos_mesh = 16
+ phonons.run_mesh([n_dos_mesh] * 3)
+
+ phonons.run_total_dos()
+ frequencies = phonons.get_total_dos_dict()["frequency_points"]
+ PHdos = phonons.get_total_dos_dict()["total_dos"] / len(at0)
+
+ # contains by columns the frequencies in cm^{-1} and the vDOS
+ # the vDOS ins in units of "number of states/(unit cell x frequency[cm^{-1}])"
+ # i.e. if you integrate the vDOS throughout frequency, it will be 3N, where N is the number of atoms in the unit cell
+ m_data["DOS"] = {"freq": frequencies / THz_per_invcm, "val": PHdos * THz_per_invcm}
+
+ # band path
+ if "band_path" in m_data:
+ band_path = m_data["band_path"]
+ band_n = [20]
+
+ lat = at0.get_cell().get_bravais_lattice()
+ special_points = lat.get_special_points()
+ path_pts = []
+ path_labels = []
+ pt = []
+ for s in " ".join(band_path).split():
+ try:
+ qi = float(s)
+ pt.append(qi)
+ except:
+ if len(pt) > 0:
+ raise RuntimeError("got non-float after 1 or more floats")
+ for p in s:
+ try:
+ path_pts.append(np.asarray(special_points[p]))
+ path_labels.append(p)
+ except KeyError:
+ raise RuntimeError(
+ "Failed to find special point {}, known {}".format(
+ p, special_points.keys()
+ )
+ )
+ if len(pt) == 3:
+ path_pts.append(np.asarray(pt))
+ path_labels.append("{:.2f}_{:.2f}_{:.2f}".format(*pt))
+ pt = []
+
+ if len(band_n) == 1:
+ band_n *= len(path_pts) - 1
+ assert len(band_n) == len(path_pts) - 1
+
+ q_pts = []
+ q_pt_labels = []
+ for (seg_i, (label, n, p0, p1)) in enumerate(
+ zip(path_labels[0:-1], band_n, path_pts[0:-1], path_pts[1:])
+ ):
+ for p_i in range(n):
+ x = float(p_i) / float(n)
+
+ q_pts.append((1.0 - x) * p0 + x * p1)
+
+ if p_i == 0:
+ q_pt_labels.append(label)
+ else:
+ q_pt_labels.append(".")
+
+ q_pts.append(path_pts[-1])
+ q_pt_labels.append(path_labels[-1])
+
+ phonons.run_band_structure([q_pts])
+ bs = phonons.get_band_structure_dict()
+ m_data["BAND_PATH"] = {
+ "positions": bs["distances"][0],
+ "frequencies": bs["frequencies"][0] / THz_per_invcm,
+ "labels": q_pt_labels,
+ }
+
+
+phonon_test_names = {}
+for model_name in models:
+ phonon_test_names[model_name] = []
+ for k in data[model_name].keys():
+ if k.startswith("phonon_bulks"):
+ phonon_test_names[model_name].append(k)
+print("phonon_test_names", phonon_test_names)
+
+if ref_model_name in data and ref_model_name in phonon_test_names:
+ for phonon_test_name in phonon_test_names[model_name]:
+ for bulk_struct_test in data[ref_model_name][phonon_test_name]:
+ print("analyze ref model", ref_model_name, bulk_struct_test)
+ analyze_phonons(data[ref_model_name][phonon_test_name][bulk_struct_test])
+
+for model_name in models:
+ if model_name == ref_model_name and len(models) > 1:
+ # don't plot reference model compared to itself
+ continue
+
+ bulk_struct_tests = []
+ for phonon_test_name in phonon_test_names[model_name]:
+ for bulk_struct_test in data[model_name][phonon_test_name]:
+ if bulk_struct_test not in bulk_struct_tests:
+ bulk_struct_tests.append(bulk_struct_test)
+
+ print("analyze model", model_name)
+ fig_DOS = pyplot.figure()
+ ax_DOS = fig_DOS.add_subplot(1, 1, 1)
+
+ n_panels = 0
+ for phonon_test_name in phonon_test_names[model_name]:
+ n_panels += len(data[model_name][phonon_test_name])
+ print("n_panels", n_panels)
+
+ fig_BP = pyplot.figure(figsize=(10, 5 * n_panels))
+
+ panel_i = 0
+ for phonon_test_name in phonon_test_names[model_name]:
+ for bulk_struct_test in data[model_name][phonon_test_name]:
+ panel_i += 1
+ ax_BP = fig_BP.add_subplot(n_panels, 1, panel_i)
+
+ try:
+ ref_model_data = data[ref_model_name][phonon_test_name][
+ bulk_struct_test
+ ]
+ except:
+ ref_model_data = None
+ try:
+ model_data = data[model_name][phonon_test_name][bulk_struct_test]
+ except:
+ continue
+
+ print("analyze model-bulk", model_name, bulk_struct_test)
+ analyze_phonons(model_data)
+
+ if ref_model_data is not None and "DOS" in ref_model_data:
+ ax_DOS.plot(
+ ref_model_data["DOS"]["freq"],
+ ref_model_data["DOS"]["val"],
+ "-",
+ color="C{}".format(panel_i - 1),
+ label=None,
+ )
+ if "DOS" in model_data:
+ ax_DOS.plot(
+ model_data["DOS"]["freq"],
+ model_data["DOS"]["val"],
+ ":",
+ color="C{}".format(panel_i - 1),
+ label=bulk_struct_test,
+ )
+
+ if ref_model_data is not None and "BAND_PATH" in ref_model_data:
+ for i in range(ref_model_data["BAND_PATH"]["frequencies"].shape[1]):
+ ax_BP.plot(
+ ref_model_data["BAND_PATH"]["positions"],
+ ref_model_data["BAND_PATH"]["frequencies"][:, i],
+ "-",
+ color="C{}".format(panel_i - 1),
+ label=None,
+ )
+ if "BAND_PATH" in model_data:
+ for i in range(model_data["BAND_PATH"]["frequencies"].shape[1]):
+ ax_BP.plot(
+ model_data["BAND_PATH"]["positions"],
+ model_data["BAND_PATH"]["frequencies"][:, i],
+ ":",
+ color="C{}".format(panel_i - 1),
+ label=bulk_struct_test if i == 0 else None,
+ )
+
+ if panel_i == n_panels:
+ ax_BP.set_xlabel("BZ point")
+ ax_BP.set_ylabel("freq. (cm$^{-1}$)")
+ ax_BP.set_xticks(
+ [
+ p
+ for p, l in zip(
+ model_data["BAND_PATH"]["positions"],
+ model_data["BAND_PATH"]["labels"],
+ )
+ if l != "."
+ ]
+ )
+ ax_BP.set_xticklabels(
+ [l for l in model_data["BAND_PATH"]["labels"] if l != "."]
+ )
+ ax_BP.set_xlim(
+ model_data["BAND_PATH"]["positions"][0],
+ model_data["BAND_PATH"]["positions"][-1],
+ )
+ ylim = ax_BP.get_ylim()
+ for p, l in zip(
+ model_data["BAND_PATH"]["positions"][1:-1],
+ model_data["BAND_PATH"]["labels"][1:-1],
+ ):
+ if l != ".":
+ ax_BP.plot([p, p], ylim, "-", color="black", label=None)
+ ax_BP.set_ylim(ylim)
+ ax_BP.legend(loc="upper right")
+ ax_BP.axhline(color="black", linewidth=0.5)
+
+ ax_DOS.set_xlabel("freq (cm$^{-1}$)")
+ ax_DOS.set_ylabel("DOS (arb. units)")
+ ylim = ax_DOS.get_ylim()
+ ax_DOS.set_ylim(0.0, ylim[1])
+ ax_DOS.legend()
+
+ fig_DOS.savefig("phonon_bulks_DOS-" + model_name + ".pdf", bbox_inches="tight")
+ fig_BP.savefig("phonon_bulks_BAND_PATH-" + model_name + ".pdf", bbox_inches="tight")
+ pyplot.clf()
+
+ print("")
diff --git a/testingframework/scripts/analyze_phonon_bulks_paper.py b/testingframework/scripts/analyze_phonon_bulks_paper.py
new file mode 100644
index 000000000..f9a40a7d3
--- /dev/null
+++ b/testingframework/scripts/analyze_phonon_bulks_paper.py
@@ -0,0 +1,231 @@
+#!/usr/bin/env python
+
+import numpy as np
+from analyze_utils import *
+import matplotlib
+
+matplotlib.use("PDF")
+from matplotlib import pyplot
+
+import phonopy
+import ase.units
+
+(args, models, tests, default_analysis_settings) = analyze_start(["phonon_bulks"])
+
+data = read_properties(models, tests, args.test_set)
+
+ref_model_name = default_analysis_settings["ref_model"]
+
+
+def analyze_phonons(m_data):
+ THz_per_invcm = ase.units._c * 1.0e-10
+
+ at0 = ase.atoms.Atoms(
+ symbols=m_data["symb"],
+ scaled_positions=np.asarray(m_data["scaled_pos"]),
+ masses=np.asarray(m_data["m"]),
+ cell=np.asarray(m_data["c"]),
+ pbc=[True] * 3,
+ )
+ phonopy_atoms = phonopy.structure.atoms.PhonopyAtoms(
+ symbols=m_data["symb"],
+ scaled_positions=np.asarray(m_data["scaled_pos"]),
+ masses=np.asarray(m_data["m"]),
+ cell=np.asarray(m_data["c"]),
+ )
+ phonons = phonopy.Phonopy(
+ phonopy_atoms, m_data["n_cell"], factor=m_data["unit_factor"]
+ )
+ phonons.generate_displacements(distance=m_data["dx"])
+
+ phonons.produce_force_constants(
+ forces=np.asarray(m_data["all_forces"]), calculate_full_force_constants=True
+ )
+ phonons.symmetrize_force_constants()
+
+ # DOS
+ n_dos_mesh = 16
+ phonons.run_mesh([n_dos_mesh] * 3)
+
+ phonons.run_total_dos()
+ frequencies = phonons.get_total_dos_dict()["frequency_points"]
+ PHdos = phonons.get_total_dos_dict()["total_dos"]
+
+ # contains by columns the frequencies in cm^{-1} and the vDOS
+ # the vDOS ins in units of "number of states/(unit cell x frequency[cm^{-1}])"
+ # i.e. if you integrate the vDOS throughout frequency, it will be 3N, where N is the number of atoms in the unit cell
+ m_data["DOS"] = {"freq": frequencies / THz_per_invcm, "val": PHdos * THz_per_invcm}
+
+ # band path
+ if "band_path" in m_data:
+ band_path = m_data["band_path"]
+ band_n = [20]
+
+ lat = at0.get_cell().get_bravais_lattice()
+ special_points = lat.get_special_points()
+ path_pts = []
+ path_labels = []
+ pt = []
+ for s in " ".join(band_path).split():
+ try:
+ qi = float(s)
+ pt.append(qi)
+ except:
+ if len(pt) > 0:
+ raise RuntimeError("got non-float after 1 or more floats")
+ for p in s:
+ try:
+ path_pts.append(np.asarray(special_points[p]))
+ path_labels.append(p)
+ except KeyError:
+ raise RuntimeError(
+ "Failed to find special point {}, known {}".format(
+ p, special_points.keys()
+ )
+ )
+ if len(pt) == 3:
+ path_pts.append(np.asarray(pt))
+ path_labels.append("{:.2f}_{:.2f}_{:.2f}".format(*pt))
+ pt = []
+
+ if len(band_n) == 1:
+ band_n *= len(path_pts) - 1
+ assert len(band_n) == len(path_pts) - 1
+
+ q_pts = []
+ q_pt_labels = []
+ for (seg_i, (label, n, p0, p1)) in enumerate(
+ zip(path_labels[0:-1], band_n, path_pts[0:-1], path_pts[1:])
+ ):
+ for p_i in range(n):
+ x = float(p_i) / float(n)
+
+ q_pts.append((1.0 - x) * p0 + x * p1)
+
+ if p_i == 0:
+ q_pt_labels.append(label)
+ else:
+ q_pt_labels.append(".")
+
+ q_pts.append(path_pts[-1])
+ q_pt_labels.append(path_labels[-1])
+
+ phonons.run_band_structure([q_pts])
+ bs = phonons.get_band_structure_dict()
+ m_data["BAND_PATH"] = {
+ "positions": bs["distances"][0],
+ "frequencies": bs["frequencies"][0] / THz_per_invcm,
+ "labels": q_pt_labels,
+ }
+
+
+if ref_model_name in data and "phonon_bulks" in data[ref_model_name]:
+ for (bulk_i, bulk_struct_test) in enumerate(data[ref_model_name]["phonon_bulks"]):
+ print("analyze ref model", ref_model_name, bulk_struct_test)
+ analyze_phonons(data[ref_model_name]["phonon_bulks"][bulk_struct_test])
+
+bulk_struct_tests = []
+for model_name in models:
+ if model_name in data and "phonon_bulks" in data[model_name]:
+ for bulk_struct_test in data[model_name]["phonon_bulks"]:
+ if bulk_struct_test not in bulk_struct_tests:
+ bulk_struct_tests.append(bulk_struct_test)
+
+fig_DOS = pyplot.figure()
+ax_DOS = fig_DOS.add_subplot(1, 1, 1)
+fig_BP = pyplot.figure()
+ax_BP = fig_BP.add_subplot(1, 1, 1)
+
+# label_dict = Dict(
+#
+# )
+colors = ["red", "green", "blue", "cyan"]
+
+k = 0
+
+for (j, model_name) in enumerate(models):
+ if model_name == ref_model_name and len(models) > 1:
+ continue
+ print("analyze model", model_name)
+ for (bulk_i, bulk_struct_test) in enumerate(bulk_struct_tests):
+ if "phonon_bulks" not in data[model_name]:
+ continue
+
+ try:
+ ref_model_data = data[ref_model_name]["phonon_bulks"][bulk_struct_test]
+ except:
+ ref_model_data = None
+ try:
+ model_data = data[model_name]["phonon_bulks"][bulk_struct_test]
+ except:
+ continue
+
+ print("analyze model-bulk", model_name, bulk_struct_test)
+ analyze_phonons(model_data)
+
+ if ref_model_data is not None and "BAND_PATH" in ref_model_data:
+ for i in range(ref_model_data["BAND_PATH"]["frequencies"].shape[1]):
+ ax_BP.plot(
+ ref_model_data["BAND_PATH"]["positions"],
+ ref_model_data["BAND_PATH"]["frequencies"][:, i],
+ "-",
+ color="black",
+ label=ref_model_name if k == 0 else None,
+ )
+ k += 1
+
+ if "BAND_PATH" in model_data:
+ for i in range(model_data["BAND_PATH"]["frequencies"].shape[1]):
+ ax_BP.plot(
+ model_data["BAND_PATH"]["positions"],
+ model_data["BAND_PATH"]["frequencies"][:, i],
+ "-",
+ color=colors[j],
+ label=model_name if i == 0 else None,
+ )
+
+ ax_BP.set_xticks(
+ [
+ p
+ for p, l in zip(
+ model_data["BAND_PATH"]["positions"],
+ model_data["BAND_PATH"]["labels"],
+ )
+ if l != "."
+ ]
+ )
+ ax_BP.set_xticklabels(
+ [l for l in model_data["BAND_PATH"]["labels"] if l != "."]
+ )
+ ax_BP.set_xlim(
+ model_data["BAND_PATH"]["positions"][0],
+ model_data["BAND_PATH"]["positions"][-1],
+ )
+
+ # ax_BP.set_ylim(ylim)
+ ylim = ax_DOS.get_ylim()
+ if bulk_i == len(bulk_struct_tests) - 1:
+ ylim = ax_BP.get_ylim()
+ for p, l in zip(
+ ref_model_data["BAND_PATH"]["positions"][1:-1],
+ ref_model_data["BAND_PATH"]["labels"][1:-1],
+ ):
+ if l != ".":
+ ax_BP.plot(
+ [p, p], ylim, "-", color="black", label=None, linewidth=0.5
+ )
+
+ax_BP.set_xlabel("BZ point")
+ax_BP.set_ylim(ylim)
+ax_BP.legend(loc="upper right")
+ax_BP.axhline(color="black", linewidth=0.5)
+ax_BP.set_ylabel("freq. (cm$^{-1}$)")
+ax_DOS.set_xlabel("freq (cm$^{-1}$)")
+ax_DOS.set_ylabel("DOS (arb. units)")
+ylim = ax_DOS.get_ylim()
+ax_DOS.set_ylim(0.0, ylim[1])
+ax_DOS.legend()
+
+fig_DOS.savefig("phonon_bulks_DOS-PAPER.pdf")
+fig_BP.savefig("phonon_bulks_BAND_PATH-PAPER.pdf")
+pyplot.clf()
diff --git a/testingframework/scripts/analyze_phonons.py b/testingframework/scripts/analyze_phonons.py
new file mode 100755
index 000000000..355d70262
--- /dev/null
+++ b/testingframework/scripts/analyze_phonons.py
@@ -0,0 +1,250 @@
+#!/usr/bin/env python
+
+import numpy as np
+from analyze_utils import *
+import matplotlib
+
+matplotlib.use("PDF")
+from matplotlib import pyplot
+
+import phonopy
+import ase.units
+
+(args, models, tests, default_analysis_settings) = analyze_start(["phonon_bulks_*"])
+
+data = read_properties(models, tests, args.test_set)
+
+ref_model_name = default_analysis_settings["ref_model"]
+
+
+def analyze_phonons(m_data):
+ THz_per_invcm = ase.units._c * 1.0e-10
+
+ at0 = ase.atoms.Atoms(
+ symbols=m_data["symb"],
+ scaled_positions=np.asarray(m_data["scaled_pos"]),
+ masses=np.asarray(m_data["m"]),
+ cell=np.asarray(m_data["c"]),
+ pbc=[True] * 3,
+ )
+ phonopy_atoms = phonopy.structure.atoms.PhonopyAtoms(
+ symbols=m_data["symb"],
+ scaled_positions=np.asarray(m_data["scaled_pos"]),
+ masses=np.asarray(m_data["m"]),
+ cell=np.asarray(m_data["c"]),
+ )
+ phonons = phonopy.Phonopy(
+ phonopy_atoms, m_data["n_cell"], factor=m_data["unit_factor"]
+ )
+ phonons.generate_displacements(distance=m_data["dx"])
+
+ phonons.produce_force_constants(
+ forces=np.asarray(m_data["all_forces"]), calculate_full_force_constants=True
+ )
+ phonons.symmetrize_force_constants()
+
+ # DOS
+ n_dos_mesh = 16
+ phonons.run_mesh([n_dos_mesh] * 3)
+
+ phonons.run_total_dos()
+ frequencies = phonons.get_total_dos_dict()["frequency_points"]
+ PHdos = phonons.get_total_dos_dict()["total_dos"]
+
+ # contains by columns the frequencies in cm^{-1} and the vDOS
+ # the vDOS ins in units of "number of states/(unit cell x frequency[cm^{-1}])"
+ # i.e. if you integrate the vDOS throughout frequency, it will be 3N, where N is the number of atoms in the unit cell
+ m_data["DOS"] = {"freq": frequencies / THz_per_invcm, "val": PHdos * THz_per_invcm}
+
+ # band path
+ if "band_path" in m_data:
+ band_path = m_data["band_path"]
+ band_n = [20]
+
+ lat = at0.get_cell().get_bravais_lattice()
+ special_points = lat.get_special_points()
+ path_pts = []
+ path_labels = []
+ pt = []
+ for s in " ".join(band_path).split():
+ try:
+ qi = float(s)
+ pt.append(qi)
+ except:
+ if len(pt) > 0:
+ raise RuntimeError("got non-float after 1 or more floats")
+ for p in s:
+ try:
+ path_pts.append(np.asarray(special_points[p]))
+ path_labels.append(p)
+ except KeyError:
+ raise RuntimeError(
+ "Failed to find special point {}, known {}".format(
+ p, special_points.keys()
+ )
+ )
+ if len(pt) == 3:
+ path_pts.append(np.asarray(pt))
+ path_labels.append("{:.2f}_{:.2f}_{:.2f}".format(*pt))
+ pt = []
+
+ if len(band_n) == 1:
+ band_n *= len(path_pts) - 1
+ assert len(band_n) == len(path_pts) - 1
+
+ q_pts = []
+ q_pt_labels = []
+ for (seg_i, (label, n, p0, p1)) in enumerate(
+ zip(path_labels[0:-1], band_n, path_pts[0:-1], path_pts[1:])
+ ):
+ for p_i in range(n):
+ x = float(p_i) / float(n)
+
+ q_pts.append((1.0 - x) * p0 + x * p1)
+
+ if p_i == 0:
+ q_pt_labels.append(label)
+ else:
+ q_pt_labels.append(".")
+
+ q_pts.append(path_pts[-1])
+ q_pt_labels.append(path_labels[-1])
+
+ phonons.run_band_structure([q_pts])
+ bs = phonons.get_band_structure_dict()
+ m_data["BAND_PATH"] = {
+ "positions": bs["distances"][0],
+ "frequencies": bs["frequencies"][0] / THz_per_invcm,
+ "labels": q_pt_labels,
+ }
+
+
+if ref_model_name in data and "phonons" in data[ref_model_name]:
+ for (bulk_i, bulk_struct_test) in enumerate(data[ref_model_name]["phonons"]):
+ print("analyze ref model", ref_model_name, bulk_struct_test)
+ analyze_phonons(data[ref_model_name]["phonons"][bulk_struct_test])
+
+bulk_struct_tests = []
+for model_name in models:
+ if model_name in data and "phonons" in data[model_name]:
+ for bulk_struct_test in data[model_name]["phonons"]:
+ if bulk_struct_test not in bulk_struct_tests:
+ bulk_struct_tests.append(bulk_struct_test)
+
+for model_name in models:
+ if model_name == ref_model_name and len(models) > 1:
+ continue
+ print("analyze model", model_name)
+ fig_DOS = pyplot.figure(figsize=(6, len(models) * 4))
+ for (bulk_i, bulk_struct_test) in enumerate(bulk_struct_tests):
+ if "phonons" not in data[model_name]:
+ continue
+
+ fig_BP = pyplot.figure()
+ ax_BP = fig_BP.add_subplot(
+ 1, 1, 1
+ ) # fig_BP.add_subplot(len(data[ref_model_name]["phonons"]),1,bulk_i+1)
+ ax_DOS = fig_DOS.add_subplot(len(data[model_name]["phonons"]), 1, bulk_i + 1)
+
+ try:
+ ref_model_data = data[ref_model_name]["phonons"][bulk_struct_test]
+ except:
+ ref_model_data = None
+
+ try:
+ model_data = data[model_name]["phonons"][bulk_struct_test]
+ except:
+ continue
+
+ print("analyze model-bulk", model_name, bulk_struct_test)
+ analyze_phonons(model_data)
+
+ if ref_model_data is not None and "DOS" in ref_model_data:
+ ax_DOS.plot(
+ ref_model_data["DOS"]["freq"],
+ ref_model_data["DOS"]["val"],
+ ":",
+ color="C{}".format(bulk_i),
+ label=ref_model_name,
+ )
+ if "DOS" in model_data:
+ ax_DOS.plot(
+ model_data["DOS"]["freq"],
+ model_data["DOS"]["val"],
+ "-",
+ color="C{}".format(bulk_i),
+ label=bulk_struct_test,
+ )
+ ax_DOS.set_xlabel("freq (cm$^{-1}$)")
+ ax_DOS.set_ylabel("DOS (arb. units)")
+ ylim = ax_DOS.get_ylim()
+ ax_DOS.set_ylim(0.0, ylim[1])
+ ax_DOS.legend()
+
+ if ref_model_data is not None and "BAND_PATH" in ref_model_data:
+ for i in range(ref_model_data["BAND_PATH"]["frequencies"].shape[1]):
+ ax_BP.plot(
+ ref_model_data["BAND_PATH"]["positions"],
+ ref_model_data["BAND_PATH"]["frequencies"][:, i],
+ ":",
+ color="C{}".format(bulk_i),
+ label=ref_model_name if i == 0 else None,
+ )
+ if "BAND_PATH" in model_data:
+ for i in range(model_data["BAND_PATH"]["frequencies"].shape[1]):
+ ax_BP.plot(
+ model_data["BAND_PATH"]["positions"],
+ model_data["BAND_PATH"]["frequencies"][:, i],
+ "-",
+ color="C{}".format(bulk_i),
+ label=model_name if i == 0 else None,
+ )
+ f = open(
+ "phonons_BAND_PATH-" + model_name + "-" + bulk_struct_test + ".dat", "w"
+ )
+ f.write(str(model_data["BAND_PATH"]["positions"]))
+ f.write("\n")
+ f.write(str(model_data["BAND_PATH"]["frequencies"][:, :]))
+ f.write("\n")
+ f.close()
+
+ if bulk_i == len(bulk_struct_tests) - 1:
+ ax_BP.set_xlabel("BZ point")
+ ax_BP.set_ylabel("freq. (cm$^{-1}$)")
+ ax_BP.set_xticks(
+ [
+ p
+ for p, l in zip(
+ model_data["BAND_PATH"]["positions"],
+ model_data["BAND_PATH"]["labels"],
+ )
+ if l != "."
+ ]
+ )
+ ax_BP.set_xticklabels(
+ [l for l in model_data["BAND_PATH"]["labels"] if l != "."]
+ )
+ ax_BP.set_xlim(
+ model_data["BAND_PATH"]["positions"][0],
+ model_data["BAND_PATH"]["positions"][-1],
+ )
+ ylim = ax_BP.get_ylim()
+ for p, l in zip(
+ model_data["BAND_PATH"]["positions"][1:-1],
+ model_data["BAND_PATH"]["labels"][1:-1],
+ ):
+ if l != ".":
+ ax_BP.plot([p, p], ylim, "-", color="black", label=None)
+ ax_BP.set_ylim(ylim)
+ ax_BP.legend(loc="upper right")
+ ax_BP.axhline(color="black", linewidth=0.5)
+
+ ax_BP.set_title(bulk_struct_test)
+ fig_BP.savefig(
+ "phonons_BAND_PATH-" + model_name + "-" + bulk_struct_test + ".pdf"
+ )
+
+fig_DOS.savefig("phonons_DOS-" + model_name + ".pdf")
+pyplot.clf()
+
+print("")
diff --git a/testingframework/scripts/analyze_point_defects.py b/testingframework/scripts/analyze_point_defects.py
new file mode 100755
index 000000000..6db867314
--- /dev/null
+++ b/testingframework/scripts/analyze_point_defects.py
@@ -0,0 +1,137 @@
+#!/usr/bin/env python
+
+from analyze_utils import *
+
+(args, models, tests, default_analysis_settings) = analyze_start(["point_defect_*"])
+
+try:
+ (mcc_compositions, mcc_energies) = get_multicomponent_constraints(
+ args.test_set, models, default_analysis_settings["multicomponent_constraints"]
+ )
+except:
+ (mcc_compositions, mcc_energies) = (None, None)
+
+# print("multicomponent_constraints_data ", multicomponent_constraints_data)
+
+from multicomponent_mu_range import mu_range
+
+# read and parse all data
+data = read_properties(models, tests, args.test_set)
+
+n_fig = 0
+defect_table_data = {}
+for model_name in models:
+ table_entry = []
+ for test_name in tests:
+ print("DO {} {}".format(model_name, test_name))
+
+ try:
+ (cur_min_EV, cur_composition) = read_ref_bulk_model_struct(
+ args.test_set,
+ model_name,
+ data[model_name][test_name]["bulk_struct_test"],
+ )
+ except:
+ print("No data")
+ continue
+ try:
+ (stable_mu_extrema, full_mu_range) = mu_range(
+ cur_min_EV,
+ cur_composition,
+ data[model_name][test_name]["bulk_struct_test"],
+ mcc_compositions,
+ mcc_energies[model_name],
+ )
+ except:
+ (stable_mu_extrema, full_mu_range) = (None, None)
+ # print(model_name, test_name, "stable_mu_extrema", stable_mu_extrema)
+ # print("full_mu_range", full_mu_range)
+ if stable_mu_extrema is not None:
+ if len(stable_mu_extrema) > 0:
+ print("stable mu range:")
+ for pt in stable_mu_extrema:
+ for Z in sorted(pt.keys()):
+ print(" mu_{} = {} ".format(Z, pt[Z]), end="")
+ print("")
+ else:
+ print("stable mu range: None")
+
+ for defect_label in data[model_name][test_name]["defects"]:
+ # print("defect label",defect_label)
+ defect = data[model_name][test_name]["defects"][defect_label]
+
+ ind = defect_label
+ Z = defect.get("Z", None)
+ Ef = defect["Ef"]
+ Ef0 = defect["Ef0"]
+ # the following should probably be refactored, to make a more general routine
+ # to determine formation energy of non-stoichiometric defects
+ if "dmu" in defect:
+ n_Z = defect["dmu"][0]
+ mu_Z = defect["dmu"][1]
+ if stable_mu_extrema is None or len(stable_mu_extrema) == 0:
+ print(
+ f"DEFECT {model_name}, {test_name}, {ind}, {Z}, (Ef0 = {Ef0:.4f} Ef = {Ef:.4f}) but no stable mu range exists"
+ )
+ else:
+ mu_min = min([mu_pt[mu_Z] for mu_pt in stable_mu_extrema])
+ mu_max = max([mu_pt[mu_Z] for mu_pt in stable_mu_extrema])
+ print("DEFECT", model_name, test_name, "label", ind, "Z", Z)
+ l1 = f"{Ef0:.4f} + (n_{mu_Z} = {n_Z})*(mu_{mu_Z} = [ {mu_min:.4f} -- {mu_max:.4f} ] ) = [ {Ef0+n_Z*mu_min:.4f} -- {Ef0+n_Z*mu_max:.4f} ]"
+ print("DEFECT", model_name, test_name, "Ef0", l1)
+ l2 = f"{Ef:.4f} + (n_{mu_Z} = {n_Z})*(mu_{mu_Z} = [ {mu_min:.4f} -- {mu_max:.4f} ] ) = [ {Ef+n_Z*mu_min:.4f} -- {Ef+n_Z*mu_max:.4f} ]"
+ print("DEFECT", model_name, test_name, "Ef", l2)
+ table_entry.append((test_name, ind, Z, l1, l2))
+ else:
+ l1 = f"{Ef0:.4f}"
+ l2 = f"{Ef:.4f}"
+ print(
+ "DEFECT",
+ model_name,
+ test_name,
+ "atom",
+ ind,
+ "Z",
+ Z,
+ "Ef0",
+ l1,
+ "Ef",
+ l2,
+ )
+ table_entry.append((test_name, ind, Z, l1, l2))
+
+ for (test_name, ind, Z, Ef0, Ef) in table_entry:
+ l = test_name + " " + str(Z) + " " + str(ind)
+ if l not in defect_table_data:
+ defect_table_data[l] = {}
+ defect_table_data[l][model_name] = (Ef0, Ef)
+
+ print("")
+
+defects_sorted = sorted(defect_table_data.keys())
+defects_sorted_print = [
+ n.replace("point_defect_", "").replace("_", " ") for n in defects_sorted
+]
+print("\\begin{tabular}{ l & " + " & ".join(["c"] * 2 * len(defects_sorted)) + " }")
+print(
+ "model & "
+ + " & ".join(
+ ["\\multicolumn{{2}}{{c}}{{{}}}".format(n) for n in defects_sorted_print]
+ )
+ + "\\\\"
+)
+print(" & " + " & ".join([" E$_f^0$ & E$_f$ "] * len(defects_sorted)), end="")
+for model_name in models:
+ print("\\\\\n" + model_name.replace("_", "\\_"), end="")
+ for d in defects_sorted:
+ if model_name in defect_table_data[l]:
+ print(
+ " & "
+ + "{}".format(defect_table_data[d][model_name][0])
+ + " & "
+ + "{}".format(defect_table_data[d][model_name][1]),
+ end="",
+ )
+ else:
+ print(" & & ", end="")
+print("\n\\end{tabular}")
diff --git a/testingframework/scripts/analyze_qha.py b/testingframework/scripts/analyze_qha.py
new file mode 100644
index 000000000..30ccd95d3
--- /dev/null
+++ b/testingframework/scripts/analyze_qha.py
@@ -0,0 +1,91 @@
+#!/usr/bin/env python
+
+from analyze_utils import *
+import numpy as np
+from ase.units import _k
+import matplotlib.pyplot as plt
+
+(args, models, tests, default_analysis_settings) = analyze_start("qha_diamond")
+
+try:
+ (mcc_compositions, mcc_energies) = get_multicomponent_constraints(
+ args.test_set, models, default_analysis_settings["multicomponent_constraints"]
+ )
+except:
+ (mcc_compositions, mcc_energies) = (None, None)
+
+# print("multicomponent_constraints_data ", multicomponent_constraints_data)
+
+from multicomponent_mu_range import mu_range
+
+ref_linestyles = ["-", "--"]
+other_linestyles = [":", "-."]
+struct_colors = [
+ "black",
+ "red",
+ "blue",
+ "orange",
+ "green",
+ "brown",
+ "grey",
+ "magenta",
+ "cyan",
+]
+ref_model_name = default_analysis_settings["ref_model"]
+
+# read and parse all data
+qha_data = read_properties(models, tests, args.test_set)
+
+fig, axs = plt.subplots(3, 1, sharex=False, sharey=False, figsize=(6.6, 9.9))
+
+axs[0].plot(
+ qha_data[ref_model_name]["qha_diamond"]["qha_temperature"],
+ qha_data[ref_model_name]["qha_diamond"]["qha_heat_capacity"],
+ label=ref_model_name,
+ linestyle=ref_linestyles[0],
+ color="black",
+)
+axs[1].plot(
+ qha_data[ref_model_name]["qha_diamond"]["qha_temperature"],
+ qha_data[ref_model_name]["qha_diamond"]["qha_gruneisen"],
+ label=ref_model_name,
+ linestyle=ref_linestyles[0],
+ color="black",
+)
+axs[2].plot(
+ qha_data[ref_model_name]["qha_diamond"]["qha_temperature"],
+ qha_data[ref_model_name]["qha_diamond"]["qha_thermal_expansion"],
+ label=ref_model_name,
+ linestyle=ref_linestyles[0],
+ color="black",
+)
+
+i = 0
+for model in sorted(qha_data.keys()):
+ if bool(qha_data[model]) is True and model != ref_model_name:
+ i += 1
+ axs[0].plot(
+ qha_data[model]["qha_diamond"]["qha_temperature"],
+ qha_data[model]["qha_diamond"]["qha_heat_capacity"],
+ label=model,
+ color=struct_colors[i],
+ )
+ axs[1].plot(
+ qha_data[model]["qha_diamond"]["qha_temperature"],
+ qha_data[model]["qha_diamond"]["qha_gruneisen"],
+ label=model,
+ color=struct_colors[i],
+ )
+ axs[2].plot(
+ qha_data[model]["qha_diamond"]["qha_temperature"],
+ qha_data[model]["qha_diamond"]["qha_thermal_expansion"],
+ label=model,
+ color=struct_colors[i],
+ )
+
+axs[0].set_ylabel("Heat Capacity [kb]")
+axs[1].set_ylabel("Gruneisen Parameter")
+axs[2].set_ylabel("Thermal Expansion [1E-6/K]")
+axs[2].set_xlabel("Temperature [K]")
+plt.legend()
+plt.savefig("./qha.pdf")
diff --git a/scripts/analyze_surfaces.py b/testingframework/scripts/analyze_surfaces.py
similarity index 56%
rename from scripts/analyze_surfaces.py
rename to testingframework/scripts/analyze_surfaces.py
index 3ee372509..37bd89047 100755
--- a/scripts/analyze_surfaces.py
+++ b/testingframework/scripts/analyze_surfaces.py
@@ -3,10 +3,12 @@
from analyze_utils import *
import numpy as np
-(args, models, tests, default_analysis_settings) = analyze_start('surface_*')
+(args, models, tests, default_analysis_settings) = analyze_start("surface_*")
try:
- (mcc_compositions, mcc_energies) = get_multicomponent_constraints(args.test_set, models, default_analysis_settings["multicomponent_constraints"])
+ (mcc_compositions, mcc_energies) = get_multicomponent_constraints(
+ args.test_set, models, default_analysis_settings["multicomponent_constraints"]
+ )
except:
(mcc_compositions, mcc_energies) = (None, None)
@@ -25,14 +27,24 @@
print("DO {} {}".format(model_name, test_name))
try:
- (cur_min_EV, cur_composition) = read_ref_bulk_model_struct(args.test_set, model_name, data[model_name][test_name]["bulk_struct_test"])
+ (cur_min_EV, cur_composition) = read_ref_bulk_model_struct(
+ args.test_set,
+ model_name,
+ data[model_name][test_name]["bulk_struct_test"],
+ )
except:
print("No bulk data")
continue
try:
- (stable_mu_extrema, full_mu_range) = mu_range(cur_min_EV, cur_composition, data[model_name][test_name]["bulk_struct_test"], mcc_compositions, mcc_energies[model_name])
+ (stable_mu_extrema, full_mu_range) = mu_range(
+ cur_min_EV,
+ cur_composition,
+ data[model_name][test_name]["bulk_struct_test"],
+ mcc_compositions,
+ mcc_energies[model_name],
+ )
except:
- (stable_mu_extrema, full_mu_range) = (None,None)
+ (stable_mu_extrema, full_mu_range) = (None, None)
# print(model_name, test_name, "stable_mu_extrema", stable_mu_extrema)
# print("full_mu_range", full_mu_range)
if stable_mu_extrema is not None:
@@ -40,7 +52,7 @@
print("stable mu range:")
for pt in stable_mu_extrema:
for Z in sorted(pt.keys()):
- print("mu_{} = {} ".format(Z, pt[Z]),end='')
+ print("mu_{} = {} ".format(Z, pt[Z]), end="")
print("")
else:
print("stable mu range: None")
@@ -50,25 +62,32 @@
l_base = "{:.4f}".format(data[model_name][test_name]["Ef"])
l = l_base
dmus = data[model_name][test_name]["dmu"]
- if dmus is not None and any([dmus[mu_Z] != 0.0 for mu_Z in dmus]): # multi component
+ if dmus is not None and any(
+ [dmus[mu_Z] != 0.0 for mu_Z in dmus]
+ ): # multi component
mu_contrib_min_total = 0.0
mu_contrib_max_total = 0.0
- l_dmu = ''
+ l_dmu = ""
for mu_Z, n_dmu in dmus.items():
if n_dmu != 0:
any_n_dmu = True
- mu_min = min([ mu_pt[int(mu_Z)] for mu_pt in stable_mu_extrema] )
- mu_max = max([ mu_pt[int(mu_Z)] for mu_pt in stable_mu_extrema] )
+ mu_min = min([mu_pt[int(mu_Z)] for mu_pt in stable_mu_extrema])
+ mu_max = max([mu_pt[int(mu_Z)] for mu_pt in stable_mu_extrema])
mu_contrib_min = np.finfo(float).max
mu_contrib_max = -np.finfo(float).max
- mu_contrib_min = min(mu_contrib_min, n_dmu*mu_min)
- mu_contrib_min = min(mu_contrib_min, n_dmu*mu_max)
- mu_contrib_max = max(mu_contrib_max, n_dmu*mu_min)
- mu_contrib_max = max(mu_contrib_max, n_dmu*mu_max)
- l_dmu += " + ( {:.4f} * mu_{} = [ {:.4f} -- {:.4f} ] )".format(n_dmu, mu_Z, mu_contrib_min, mu_contrib_max)
+ mu_contrib_min = min(mu_contrib_min, n_dmu * mu_min)
+ mu_contrib_min = min(mu_contrib_min, n_dmu * mu_max)
+ mu_contrib_max = max(mu_contrib_max, n_dmu * mu_min)
+ mu_contrib_max = max(mu_contrib_max, n_dmu * mu_max)
+ l_dmu += " + ( {:.4f} * mu_{} = [ {:.4f} -- {:.4f} ] )".format(
+ n_dmu, mu_Z, mu_contrib_min, mu_contrib_max
+ )
mu_contrib_min_total += mu_contrib_min
mu_contrib_max_total += mu_contrib_max
- l_dmu += " = [ {:.4f} -- {:.4f} ]".format(data[model_name][test_name]["Ef"] + mu_contrib_min_total,data[model_name][test_name]["Ef"] + mu_contrib_max_total)
+ l_dmu += " = [ {:.4f} -- {:.4f} ]".format(
+ data[model_name][test_name]["Ef"] + mu_contrib_min_total,
+ data[model_name][test_name]["Ef"] + mu_contrib_max_total,
+ )
l += l_dmu
table_entry.append((test_name, l))
@@ -82,16 +101,17 @@
surface_table_data[test_name][model_name] = Ef
-
surfaces_sorted = sorted(surface_table_data.keys())
-surfaces_sorted_print= ([ n.replace("surface_","").replace("_"," ") for n in surfaces_sorted ])
-print("\\begin{tabular}{ l & " + " & ".join(["c"]*len(surfaces_sorted)) + " }")
-print("model & "+" & ".join( [ n for n in surfaces_sorted_print ] ),end='')
+surfaces_sorted_print = [
+ n.replace("surface_", "").replace("_", " ") for n in surfaces_sorted
+]
+print("\\begin{tabular}{ l & " + " & ".join(["c"] * len(surfaces_sorted)) + " }")
+print("model & " + " & ".join([n for n in surfaces_sorted_print]), end="")
for model_name in models:
- print("\\\\\n"+model_name.replace("_","\\_"),end='')
+ print("\\\\\n" + model_name.replace("_", "\\_"), end="")
for s in surfaces_sorted:
if model_name in surface_table_data[s]:
- print(" & " + "{}".format(surface_table_data[s][model_name]),end='')
+ print(" & " + "{}".format(surface_table_data[s][model_name]), end="")
else:
- print(" & & ",end='')
+ print(" & & ", end="")
print("\n\\end{tabular}")
diff --git a/scripts/analyze_utils.py b/testingframework/scripts/analyze_utils.py
similarity index 53%
rename from scripts/analyze_utils.py
rename to testingframework/scripts/analyze_utils.py
index 15e6baa64..5673ac65f 100755
--- a/scripts/analyze_utils.py
+++ b/testingframework/scripts/analyze_utils.py
@@ -37,11 +37,13 @@ def get_matching_from_test_sets(test_sets, filename, unique=False):
# list of globs
files = []
for ts in test_sets:
- files.extend(glob.glob(f'{ts}-{filename}'))
+ files.extend(glob.glob(f"{ts}-{filename}"))
if unique:
if len(files) > 1:
- raise RuntimeError(f'unique but more than one file for {test_sets}, {filename} = {files}')
+ raise RuntimeError(
+ f"unique but more than one file for {test_sets}, {filename} = {files}"
+ )
elif len(files) == 0:
return None
else:
@@ -49,30 +51,46 @@ def get_matching_from_test_sets(test_sets, filename, unique=False):
else:
return files
+
# read a reference bulk structure, return lowest E and corresponding V, and composition
def read_ref_bulk_model_struct(test_set, model_name, struct_name):
# min E from properties
- with open(get_matching_from_test_sets(test_set, f'model-{model_name}-test-{struct_name}-properties.json', unique=True) , "r") as f:
+ with open(
+ get_matching_from_test_sets(
+ test_set,
+ f"model-{model_name}-test-{struct_name}-properties.json",
+ unique=True,
+ ),
+ "r",
+ ) as f:
d = json.load(f)
- min_EV = min(d["E_vs_V"], key = lambda x : x[1])[1]
+ min_EV = min(d["E_vs_V"], key=lambda x: x[1])[1]
# composition from relaxed struct
- at = ase.io.read(get_matching_from_test_sets(test_set, f'model-{model_name}-test-{struct_name}-relaxed.xyz', unique=True), format="extxyz")
+ at = ase.io.read(
+ get_matching_from_test_sets(
+ test_set, f"model-{model_name}-test-{struct_name}-relaxed.xyz", unique=True
+ ),
+ format="extxyz",
+ )
composition = formula_unit(at.get_atomic_numbers())
return (min_EV, composition)
+
# get energies and volumes for every element's reference structure, for all models
def get_element_ref_structs(test_set, models, element_ref_struct):
data = {}
for symb in element_ref_struct:
struct_name = element_ref_struct[symb]
- data[symb] = { "min_Es" : {}, "ref_struct" : struct_name }
+ data[symb] = {"min_Es": {}, "ref_struct": struct_name}
for model_name in models:
try:
- (min_EV, composition) = read_ref_bulk_model_struct(test_set, model_name, struct_name)
+ (min_EV, composition) = read_ref_bulk_model_struct(
+ test_set, model_name, struct_name
+ )
except:
continue
data[symb]["min_Es"][model_name] = min_EV
@@ -80,12 +98,19 @@ def get_element_ref_structs(test_set, models, element_ref_struct):
data[symb]["composition"] = composition
return data
+
# get the multicomponent constraints, from a list or a glob, and store their compositions and energies
-def get_multicomponent_constraints(test_set, models, multicomponent_constraints_structs):
+def get_multicomponent_constraints(
+ test_set, models, multicomponent_constraints_structs
+):
composition_data = {}
energy_data = {}
if debug:
- print("get_multicomponent_constraints", multicomponent_constraints_structs, isinstance(multicomponent_constraints_structs, str))
+ print(
+ "get_multicomponent_constraints",
+ multicomponent_constraints_structs,
+ isinstance(multicomponent_constraints_structs, str),
+ )
for model_name in models:
if debug:
@@ -93,8 +118,16 @@ def get_multicomponent_constraints(test_set, models, multicomponent_constraints_
energy_data[model_name] = {}
if isinstance(multicomponent_constraints_structs, str):
# print("globbing multicomponent_constraints_struct")
- struct_name_list = get_matching_from_test_sets(test_set, f'model-{model_name}-test-{multicomponent_constraints_structs}-properties.json')
- struct_name_list = [ re.sub(f'.*-model-{model_name}-test-', '', x).replace('-properties.json','') for x in struct_name_list ]
+ struct_name_list = get_matching_from_test_sets(
+ test_set,
+ f"model-{model_name}-test-{multicomponent_constraints_structs}-properties.json",
+ )
+ struct_name_list = [
+ re.sub(f".*-model-{model_name}-test-", "", x).replace(
+ "-properties.json", ""
+ )
+ for x in struct_name_list
+ ]
else:
# print("not globbing multicomponent_constraints_struct")
struct_name_list = multicomponent_constraints_structs
@@ -102,50 +135,109 @@ def get_multicomponent_constraints(test_set, models, multicomponent_constraints_
for struct_name in struct_name_list:
if debug:
- print("get_multicomponent_constraints struct_name",test_set, model_name, struct_name)
+ print(
+ "get_multicomponent_constraints struct_name",
+ test_set,
+ model_name,
+ struct_name,
+ )
try:
- (min_EV, composition) = read_ref_bulk_model_struct(test_set, model_name, struct_name)
+ (min_EV, composition) = read_ref_bulk_model_struct(
+ test_set, model_name, struct_name
+ )
energy_data[model_name][struct_name] = min_EV
if not "struct_name" in composition_data:
composition_data[struct_name] = composition
if debug:
- print("min_EV, composition ",min_EV, composition)
+ print("min_EV, composition ", min_EV, composition)
except:
pass
return (composition_data, energy_data)
+
# start an analysis by parsing arguments, reading defaults
-def analyze_start(default_tests=['*']):
- parser = argparse.ArgumentParser(description='Analyze bulk lattices')
- parser.add_argument('--models', '-m', action='store', nargs='+', type=str, help='models to include', default=['*'])
- if not isinstance(default_tests,list):
- default_tests=[default_tests]
- parser.add_argument('--tests', '-t', action='store', nargs='+', type=str, help='tests to include (globs)', default=default_tests)
+def analyze_start(default_tests=["*"]):
+ parser = argparse.ArgumentParser(description="Analyze bulk lattices")
+ parser.add_argument(
+ "--models",
+ "-m",
+ action="store",
+ nargs="+",
+ type=str,
+ help="models to include",
+ default=["*"],
+ )
+ if not isinstance(default_tests, list):
+ default_tests = [default_tests]
+ parser.add_argument(
+ "--tests",
+ "-t",
+ action="store",
+ nargs="+",
+ type=str,
+ help="tests to include (globs)",
+ default=default_tests,
+ )
# duplicates of stuff in scripts/run-all.py
- parser.add_argument('--test_set', '-s', nargs='+', action='store', help='label for tests directories', required=True)
- parser.add_argument('--models_path', '-P', action='store', help='path to models directory', default=os.path.join(os.getcwd(),'../models'))
- parser.add_argument('--REF_E_offset', type=float, action='store', help='offset of reference model energy/atom', default=0.0)
+ parser.add_argument(
+ "--test_set",
+ "-s",
+ nargs="+",
+ action="store",
+ help="label for tests directories",
+ required=True,
+ )
+ parser.add_argument(
+ "--models_path",
+ "-P",
+ action="store",
+ help="path to models directory",
+ default=os.path.join(os.getcwd(), "../models"),
+ )
+ parser.add_argument(
+ "--REF_E_offset",
+ type=float,
+ action="store",
+ help="offset of reference model energy/atom",
+ default=0.0,
+ )
try:
- with open("default_analysis_opts.json","r") as f:
+ with open("default_analysis_opts.json", "r") as f:
try:
default_analysis_opts = json.load(f)
except Exception as e:
sys.stderr.write("ERROR json.load on file default_analysis_opts.json\n")
raise e
except:
- default_analysis_opts=[]
+ default_analysis_opts = []
args = parser.parse_args(sys.argv[1:] + default_analysis_opts)
# from full list of models/tests
- models = [ os.path.split(f)[1] for f in list(itertools.chain.from_iterable([ glob.glob(os.path.join(args.models_path, d)) for d in args.models ])) ]
- my_path=os.path.dirname(os.path.realpath(__file__))
+ models = [
+ os.path.split(f)[1]
+ for f in list(
+ itertools.chain.from_iterable(
+ [glob.glob(os.path.join(args.models_path, d)) for d in args.models]
+ )
+ )
+ ]
+ my_path = os.path.dirname(os.path.realpath(__file__))
tests = []
for test_set in args.test_set:
- tests_path = os.path.join(my_path,"..","tests",test_set)
- tests.extend([ os.path.split(f)[1] for f in list(itertools.chain.from_iterable([ glob.glob(os.path.join(tests_path, d)) for d in args.tests ])) ])
+ tests_path = os.path.join(my_path, "..", "tests", test_set)
+ tests.extend(
+ [
+ os.path.split(f)[1]
+ for f in list(
+ itertools.chain.from_iterable(
+ [glob.glob(os.path.join(tests_path, d)) for d in args.tests]
+ )
+ )
+ ]
+ )
with open("default_analysis_settings.json") as default_analysis_file:
try:
@@ -156,6 +248,7 @@ def analyze_start(default_tests=['*']):
return (args, models, tests, default_analysis_settings)
+
# read the properties for a set of models and tests with a given system
def read_properties(models, tests, test_set):
data = {}
@@ -166,9 +259,17 @@ def read_properties(models, tests, test_set):
for test_name in tests:
print(" reading data for test {}".format(test_name))
try:
- prop_filename = get_matching_from_test_sets(test_set, f'model-{model_name}-test-{test_name}-properties.json', unique=True)
+ prop_filename = get_matching_from_test_sets(
+ test_set,
+ f"model-{model_name}-test-{test_name}-properties.json",
+ unique=True,
+ )
except:
- print("Failed to get unique prop_filename for ", test_set, f'model-{model_name}-test-{test_name}-properties.json')
+ print(
+ "Failed to get unique prop_filename for ",
+ test_set,
+ f"model-{model_name}-test-{test_name}-properties.json",
+ )
continue
try:
@@ -181,4 +282,3 @@ def read_properties(models, tests, test_set):
data[model_name] = cur_model_data
return data
-
diff --git a/scripts/multicomponent_mu_range.py b/testingframework/scripts/multicomponent_mu_range.py
similarity index 66%
rename from scripts/multicomponent_mu_range.py
rename to testingframework/scripts/multicomponent_mu_range.py
index b1c5b76aa..96ba12934 100755
--- a/scripts/multicomponent_mu_range.py
+++ b/testingframework/scripts/multicomponent_mu_range.py
@@ -2,6 +2,7 @@
debug = False
+
def intersect_half_plane(polygon, L, V):
# print "check intersection ", L, V
# print "polygon", polygon
@@ -11,34 +12,37 @@ def intersect_half_plane(polygon, L, V):
new_polygon = []
for e in polygon:
# print "check edge ", e
- in_0 = sum(L*e[0]) < V
- in_1 = sum(L*e[1]) < V
+ in_0 = sum(L * e[0]) < V
+ in_1 = sum(L * e[1]) < V
# print "in status ", in_0, in_1
if in_0 and in_1:
new_polygon.append(e)
elif not in_0 and not in_1:
continue
- else: # intersection
+ else: # intersection
# L . (e0 + x (e1-e0)) = V
# L.e0 + x L.(e1-e0) = V
# x = (V-L.e0)/(L.(e1-e0))
- x = (V - np.sum(L*e[0]) ) / np.sum(L*(e[1]-e[0]))
- intersection_p = e[0] + x*(e[1]-e[0])
- if in_0 and not in_1: # in to out
- new_polygon.append( [ e[0], intersection_p ] )
+ x = (V - np.sum(L * e[0])) / np.sum(L * (e[1] - e[0]))
+ intersection_p = e[0] + x * (e[1] - e[0])
+ if in_0 and not in_1: # in to out
+ new_polygon.append([e[0], intersection_p])
last_in_point = intersection_p.copy()
- else: # no in_0 and in_1, out to in
- if last_in_point is None: # should only happen on first edge
+ else: # no in_0 and in_1, out to in
+ if last_in_point is None: # should only happen on first edge
first_in_point = intersection_p.copy()
else:
- new_polygon.append( [ last_in_point, intersection_p ] )
- new_polygon.append( [ intersection_p, e[1] ] )
+ new_polygon.append([last_in_point, intersection_p])
+ new_polygon.append([intersection_p, e[1]])
if first_in_point is not None:
- new_polygon.append( [ last_in_point, first_in_point ] )
+ new_polygon.append([last_in_point, first_in_point])
# print "new_polygon ", new_polygon
return new_polygon
-def mu_range(cur_min_EV, cur_composition, cur_bulk_struct, mcc_compositions, mcc_energies):
+
+def mu_range(
+ cur_min_EV, cur_composition, cur_bulk_struct, mcc_compositions, mcc_energies
+):
if debug:
print("mu_range got compositions ", mcc_compositions)
print("mu_range got energies ", mcc_energies)
@@ -47,14 +51,14 @@ def mu_range(cur_min_EV, cur_composition, cur_bulk_struct, mcc_compositions, mcc
n_types = len(cur_composition)
Leq = []
print("getting Veq from cur_min_EV, cur_composition")
- Veq = cur_min_EV * sum( [x[1] for x in cur_composition ] )
+ Veq = cur_min_EV * sum([x[1] for x in cur_composition])
print("mu_range: equality constraint:")
cur_elements = []
i_of_element = {}
for (i, element) in enumerate(cur_composition):
if i > 0:
- print("+", end='')
- print(" {}*mu_{}".format(element[1], element[0]), end='')
+ print("+", end="")
+ print(" {}*mu_{}".format(element[1], element[0]), end="")
cur_elements.append(element[0])
Leq.append(element[1])
i_of_element[element[0]] = i
@@ -82,17 +86,17 @@ def mu_range(cur_min_EV, cur_composition, cur_bulk_struct, mcc_compositions, mcc
# determine inequality
Lne_cur = [0] * n_types
## if debug:
- ## print " ", struct, mcc_energies, mcc_compositions
+ ## print " ", struct, mcc_energies, mcc_compositions
n_atoms = 0
for (i, element) in enumerate(mcc_compositions[struct]):
if i > 0:
- print("+", end='')
- print(" {}*mu_{}".format(element[1], element[0]), end='')
+ print("+", end="")
+ print(" {}*mu_{}".format(element[1], element[0]), end="")
n_atoms += element[1]
Lne_cur[i_of_element[element[0]]] = element[1]
- print(" <= mu_{} = {}".format(struct, mcc_energies[struct]*n_atoms))
+ print(" <= mu_{} = {}".format(struct, mcc_energies[struct] * n_atoms))
Lne.append(np.array(Lne_cur))
- Vne.append(mcc_energies[struct]*n_atoms)
+ Vne.append(mcc_energies[struct] * n_atoms)
if debug:
for (L, V) in zip(Lne, Vne):
@@ -100,23 +104,27 @@ def mu_range(cur_min_EV, cur_composition, cur_bulk_struct, mcc_compositions, mcc
full_mu_range = None
stable_mu_range = None
- if n_types == 2: # binary
+ if n_types == 2: # binary
if debug:
- print("****************************************************************************************************")
- print("types ", [ (i_of_element[x], x) for x in sorted(i_of_element.keys()) ])
+ print(
+ "****************************************************************************************************"
+ )
+ print("types ", [(i_of_element[x], x) for x in sorted(i_of_element.keys())])
Leq_3 = np.array([Leq[0], Leq[1], 0.0])
- stable_mu_range = [ [ -np.finfo(float).max, None ] , [ np.finfo(float).max, None ] ]
+ stable_mu_range = [[-np.finfo(float).max, None], [np.finfo(float).max, None]]
for (L, V) in zip(Lne, Vne):
- if np.all(L == Leq): # skip instance when inequality corresponds to same composition as base structure equilibrium equality
+ if np.all(
+ L == Leq
+ ): # skip instance when inequality corresponds to same composition as base structure equilibrium equality
continue
if debug:
print("inequality")
- print("Leq",Leq)
- print("L from ne",L)
- print("Veq",Veq)
- print("V from ne",V)
- A_lin_sys = np.array( [Leq, L] )
- b_lin_sys = np.array( [Veq, V] )
+ print("Leq", Leq)
+ print("L from ne", L)
+ print("Veq", Veq)
+ print("V from ne", V)
+ A_lin_sys = np.array([Leq, L])
+ b_lin_sys = np.array([Veq, V])
x = np.linalg.solve(A_lin_sys, b_lin_sys)
L_3 = np.array([L[0], L[1], 0.0])
if np.cross(Leq_3, L_3)[2] < 0.0:
@@ -131,31 +139,33 @@ def mu_range(cur_min_EV, cur_composition, cur_bulk_struct, mcc_compositions, mcc
stable_mu_range[0][1] = x[1]
full_mu_range = stable_mu_range
- elif n_types == 3: # ternary
+ elif n_types == 3: # ternary
if debug:
- print("****************************************************************************************************")
- print("types ", [ (i_of_element[x], x) for x in sorted(i_of_element.keys()) ])
+ print(
+ "****************************************************************************************************"
+ )
+ print("types ", [(i_of_element[x], x) for x in sorted(i_of_element.keys())])
# do monatomic limits first
vertices = []
for (L1, V1) in zip(Lne, Vne):
- if sum(L1 != 0) == 1: # monatomic
+ if sum(L1 != 0) == 1: # monatomic
i1 = np.where(L1 != 0)[0][0]
- for (L2, V2) in zip(Lne, Vne): # monatomic
+ for (L2, V2) in zip(Lne, Vne): # monatomic
i2 = np.where(L2 != 0)[0][0]
if sum(L2 != 0) == 1 and i1 < i2:
i3 = [0, 1, 2]
i3.remove(i1)
i3.remove(i2)
i3 = i3[0]
- mu_3 = (Veq - Leq[i1]*V1 - Leq[i2]*V2)/Leq[i3]
- pt = [ 0 ] * 3
+ mu_3 = (Veq - Leq[i1] * V1 - Leq[i2] * V2) / Leq[i3]
+ pt = [0] * 3
pt[i1] = V1
pt[i2] = V2
pt[i3] = mu_3
vertices.append(np.array(pt))
polygon = []
- for i in range (3):
- polygon.append([vertices[i], vertices[(i+1)%3]])
+ for i in range(3):
+ polygon.append([vertices[i], vertices[(i + 1) % 3]])
full_mu_range = []
for e in polygon:
full_mu_range.append(e[0])
@@ -163,13 +173,15 @@ def mu_range(cur_min_EV, cur_composition, cur_bulk_struct, mcc_compositions, mcc
print("initial polygon ", polygon)
for (L, V) in zip(Lne, Vne):
if sum(L != 0) > 1:
- polygon = intersect_half_plane (polygon, L, V)
+ polygon = intersect_half_plane(polygon, L, V)
if debug:
- print("****************************************************************************************************")
+ print(
+ "****************************************************************************************************"
+ )
stable_mu_range = []
for e in polygon:
stable_mu_range.append(e[0])
- elif n_types > 1: # n >= 4
+ elif n_types > 1: # n >= 4
raise ValueError("Can't do mu_range for %d-ary".format(n_types))
if stable_mu_range is None:
diff --git a/testingframework/scripts/run-all.py b/testingframework/scripts/run-all.py
new file mode 100755
index 000000000..d64c0b963
--- /dev/null
+++ b/testingframework/scripts/run-all.py
@@ -0,0 +1,247 @@
+#!/usr/bin/env python
+
+import os
+import sys
+import subprocess
+import glob
+import re
+import json
+import argparse
+import itertools
+import shlex
+
+my_path = os.path.dirname(os.path.realpath(__file__))
+
+parser = argparse.ArgumentParser(
+ description='Run all tests on all models. Default command line options in dict of lists in "default_run_opts.json", keys are "global" or regexps matching model names'
+)
+parser.add_argument(
+ "--test_set", "-s", nargs="+", help="label(s) for tests directories", required=True
+)
+parser.add_argument(
+ "--models", "-m", action="store", nargs="+", type=str, help="models to include"
+)
+parser.add_argument(
+ "--tests", "-t", action="store", nargs="+", type=str, help="tests to include"
+)
+parser.add_argument(
+ "--omit-tests", "-o", action="store", nargs="+", type=str, help="tests to omit"
+)
+parser.add_argument(
+ "--force", "-f", action="store_true", help="force rerunning of tests"
+)
+parser.add_argument(
+ "--bugs", "-b", action="store_true", help="use bugs to generate job scripts"
+)
+parser.add_argument(
+ "--bugs_np", "-n", help="override number of processor when using bugs"
+)
+parser.add_argument(
+ "--bugs_host",
+ "-H",
+ help="host to force bugs to use",
+ default=re.sub(
+ "[0-9]*$", "", os.environ.get("HOSTNAME", "None.FQDN").split(".")[0]
+ ),
+)
+parser.add_argument("--MPI", "-M", action="store_true", help="use MPI")
+parser.add_argument("--OpenMP", "-O", action="store_true", help="use OpenMP")
+parser.add_argument(
+ "--base_model",
+ "-B",
+ action="store",
+ type=str,
+ help="model to use as initial config for tests where it is enabled",
+)
+parser.add_argument(
+ "--models_path",
+ "-MP",
+ action="store",
+ type=str,
+ help="path to models directory",
+ default=os.path.join(os.getcwd(), "../models"),
+)
+parser.add_argument(
+ "--tests_path",
+ "-TP",
+ action="store",
+ type=str,
+ help="path to tests directory (above test_set)",
+ default=os.path.join(my_path, "../tests"),
+)
+parser.add_argument(
+ "--n_procs",
+ "-N",
+ action="store",
+ type=int,
+ help="number of processors to round to",
+ default=16,
+)
+
+global_default_run_opts = []
+default_run_opts = []
+if os.path.exists("default_run_opts.json"):
+ with open("default_run_opts.json", "r") as f:
+ default_run_opts = json.load(f)
+
+ if "global" in default_run_opts:
+ global_default_run_opts = default_run_opts["global"]
+
+args = parser.parse_args(sys.argv[1:] + global_default_run_opts)
+
+
+models = None
+tests = None
+if args.models is not None:
+ print("Models asked for: ", args.models)
+ models = list(
+ itertools.chain.from_iterable(
+ [
+ glob.glob(os.path.join(args.models_path, d, "model.py"))
+ for d in args.models
+ ]
+ )
+ )
+else:
+ models = glob.glob(os.path.join(args.models_path, "*", "model.py"))
+print("Models path: ", args.models_path)
+print("Models found: ", models)
+models = [os.path.split(d)[0] for d in models]
+
+
+def clean_path(p):
+ if p.startswith(os.environ["HOME"]):
+ p_home = '"$HOME"'
+ p_rest = p.replace(os.environ["HOME"], "")
+ else:
+ p_home = ""
+ p_rest = p
+ return p_home + shlex.quote(p_rest)
+
+
+tests = []
+for test_set in args.test_set:
+ tests_path = os.path.join(args.tests_path, test_set)
+
+ if args.tests is not None:
+ tests_t = list(
+ itertools.chain.from_iterable(
+ [glob.glob(os.path.join(tests_path, d, "test.py")) for d in args.tests]
+ )
+ )
+ else:
+ tests_t = glob.glob(os.path.join(tests_path, "*", "test.py"))
+ tests_t = [os.path.split(t)[0] for t in tests_t]
+ if args.omit_tests is not None:
+ for omit_test in list(
+ itertools.chain.from_iterable(
+ [glob.glob(os.path.join(tests_path, d)) for d in args.omit_tests]
+ )
+ ):
+ if omit_test in tests_t:
+ tests_t.remove(omit_test)
+ else:
+ sys.stderr.write(
+ "WARNING: omitted test %s not in list of tests\n" % omit_test
+ )
+ tests.extend([(test, test_set) for test in tests_t])
+
+force = args.force
+bugs = args.bugs
+
+run_model_test = os.path.join(my_path, "run-model-test.py")
+
+print("Models:", models)
+print("Tests:", tests)
+
+for model in models:
+ model_name = os.path.split(model)[-1]
+
+ model_default_run_opts = []
+ if default_run_opts is not None:
+ for m in default_run_opts:
+ if re.search(m, model_name) is not None:
+ model_default_run_opts = default_run_opts[m]
+ break
+
+ args = parser.parse_args(
+ sys.argv[1:] + model_default_run_opts + global_default_run_opts
+ )
+
+ for test, test_set in tests:
+ test_name = os.path.split(test)[-1]
+ try:
+ fp = open(model + "/COMPUTATIONAL_COST")
+ model_cost = float(fp.readline().strip())
+ except:
+ model_cost = 1.0
+ try:
+ fp = open(test + "/COMPUTATIONAL_COST")
+ test_cost = float(fp.readline().strip())
+ except:
+ test_cost = 1.0
+
+ if args.bugs_np is None:
+ np = (
+ int(
+ round(
+ int(test_cost * model_cost * args.n_procs) / float(args.n_procs)
+ )
+ )
+ * args.n_procs
+ )
+ if np < args.n_procs:
+ np = args.n_procs
+ else:
+ np = args.bugs_np
+
+ if args.bugs:
+ # only clean for bugs, which will feed path into shell
+ cmd_args = [
+ clean_path(run_model_test),
+ clean_path(os.path.join(args.models_path, model_name)),
+ clean_path(test),
+ ]
+ else:
+ cmd_args = [
+ run_model_test,
+ os.path.join(args.models_path, model_name),
+ test,
+ ]
+ cmd_args += ["--system_label", test_set]
+
+ if force:
+ cmd_args += ["-force"]
+ if args.base_model is not None:
+ cmd_args += ["--base_model", args.base_model]
+
+ if args.bugs:
+ ident_string = "{0}_{1}_{2}".format(test_set, model_name, test_name)
+ cmd = ["bugs", "-exec=python"]
+ if args.MPI:
+ bugs_script = "test.bugs_script_mpi"
+ else:
+ cmd += ["-no_mpirun"]
+ bugs_script = "test.bugs_script"
+ if args.OpenMP:
+ bugs_script += "_openmp"
+ bugs_script += "." + args.bugs_host
+ cmd += [
+ "-time=96h",
+ f"-np={np}",
+ f"-script={bugs_script}",
+ f"-host={args.bugs_host}",
+ f"-name={ident_string}",
+ f"-fileroot={ident_string}",
+ "-in_cwd",
+ f"-output=job.{ident_string}",
+ ]
+
+ cmd_env = os.environ.copy()
+ cmd_env["REDIRECT_IO"] = " ".join(cmd_args)
+ else:
+ cmd = ["python"] + cmd_args
+ cmd_env = None
+ print(cmd)
+ # TODO: convert this to using subprocess.run()
+ subprocess.run(cmd, env=cmd_env)
diff --git a/testingframework/scripts/run-model-test.py b/testingframework/scripts/run-model-test.py
new file mode 100755
index 000000000..c973f2a0a
--- /dev/null
+++ b/testingframework/scripts/run-model-test.py
@@ -0,0 +1,194 @@
+#!/usr/bin/env python
+
+from __future__ import print_function
+
+
+import os
+import sys
+import datetime
+import json
+import time
+import argparse
+
+if "USE_MPI" in os.environ:
+ import mpi4py
+ from quippy.mpi_context import MPI_context
+
+ do_io = mpi4py.MPI.COMM_WORLD.Get_rank() == 0
+ print("rank ", mpi4py.MPI.COMM_WORLD.Get_rank(), "io", do_io)
+else:
+ do_io = True
+
+try:
+ from ase.calculators.checkpoint import CheckpointCalculator
+except:
+ pass
+
+# import logging
+# logging.basicConfig(stream=sys.stdout, level=logging.INFO)
+# logger = logging.getLogger('ase.optimize.precon')
+# logger.propagate = True
+# logger.setLevel(logging.DEBUG)
+
+
+parser = argparse.ArgumentParser(description="Run a particular model-test combination")
+parser.add_argument("model", type=str, action="store", help="model name")
+parser.add_argument("test", type=str, action="store", help="test name")
+parser.add_argument(
+ "--system_label",
+ "-l",
+ type=str,
+ action="store",
+ help="label for tests directory",
+ default="",
+)
+parser.add_argument(
+ "--force", "-f", action="store_true", help="force rerunning of test"
+)
+parser.add_argument(
+ "--base_model",
+ "-B",
+ type=str,
+ action="store",
+ help="optional base model to start from",
+)
+parser.add_argument(
+ "--no_redirect_io", "-N", action="store_true", help="do not redirect io"
+)
+parser.add_argument(
+ "--no_append_log",
+ dest="append_log",
+ action="store_false",
+ help="overwrite log (.txt) file, rather than appending",
+)
+args = parser.parse_args()
+
+model_path = os.path.split(args.model)[0]
+if len(model_path) == 0:
+ model_path = os.path.join("..", "..", "models")
+model_name = os.path.split(args.model)[1]
+
+test_path = os.path.split(args.test)[0]
+if len(test_path) == 0:
+ test_path = os.path.join("..", "..", "tests")
+test_name = os.path.split(args.test)[1]
+
+force = args.force
+
+my_path = os.path.split(os.path.realpath(__file__))[0]
+# read utilities from current relative path
+share_dir = os.path.join(my_path, "..", "share")
+print("share_dir", share_dir)
+sys.path.insert(0, share_dir)
+import utilities
+
+## # remove this path, since later relative path will be different
+## sys.path.remove(share_dir)
+
+# set quantities to be available to utilities routines
+utilities.model_name = model_name
+utilities.base_model_name = args.base_model
+utilities.test_name = test_name
+utilities.system_label = args.system_label
+
+run_root = utilities.model_test_root()
+dir_name = "run_" + run_root # maybe a different name?
+if not os.path.exists(dir_name) and do_io:
+ os.mkdir(dir_name)
+time.sleep(1)
+os.chdir(dir_name)
+
+utilities.run_root = run_root
+utilities.base_run_root = utilities.model_test_root(base_model=True)
+
+json_file_name = os.path.join("..", run_root + "-properties.json")
+if not force and os.path.isfile(json_file_name) and os.path.getsize(json_file_name) > 0:
+ print("%s already exists and is not empty, not rerunning test" % json_file_name)
+ sys.exit(0)
+
+model_dir = os.path.join(model_path, model_name)
+test_dir = os.path.join(test_path, test_name)
+
+## sys.path.insert(0, share_dir)
+sys.path.insert(0, model_dir)
+sys.path.insert(0, test_dir)
+
+if not args.no_redirect_io:
+ _stdout, _stderr = sys.stdout, sys.stderr
+ if do_io:
+ if args.append_log:
+ log = open(os.path.join("..", run_root + ".txt"), "a", 1)
+ else:
+ log = open(os.path.join("..", run_root + ".txt"), "w", 1)
+ sys.stdout, sys.stderr = log, log
+ else:
+ sys.stdout = open(os.devnull, "w")
+ sys.stderr = open(os.devnull, "w")
+sys.stdout.write("\n###### START RUN " + time.ctime() + " ######\n")
+
+import logging
+
+logging.basicConfig(stream=sys.stdout, level=logging.INFO)
+logger = logging.getLogger("ase.optimize.precon")
+logger.propagate = True
+logger.setLevel(logging.INFO)
+
+print("Model {0}, Test {1}".format(model_name, test_name))
+print("Test run at {0}".format(datetime.datetime.now().strftime("%Y-%m-%d %H:%M")))
+print("")
+
+model_file = os.path.join(model_dir, "model.py")
+print("model file:", model_file)
+print("=" * 60)
+sys.stdout.write(open(model_file).read())
+print("=" * 60)
+
+test_file = os.path.join(test_dir, "test.py")
+print("test file:", test_file)
+print("=" * 60)
+sys.stdout.write(open(test_file).read())
+print("=" * 60)
+
+import model # import and run the current model
+
+# adapt model to test, e.g. to set output directory name
+if hasattr(model, "start"):
+ model.start(test_name)
+
+# create a checkpoint file for this specific (model, test) combination
+if (
+ (
+ "GAP_TESTER_CHECKPOINT" in os.environ
+ and os.environ["GAP_TESTER_CHECKPOINT"] != ""
+ )
+ or not hasattr(model, "no_checkpoint")
+ or not model.no_checkpoint
+):
+ checkpoint_file = run_root + ".db"
+ print("Using checkpoint file", checkpoint_file)
+ model.calculator = CheckpointCalculator(model.calculator, db=checkpoint_file)
+
+import test # import and run the current test
+
+print("=" * 60)
+print("Property calculation output:")
+print("")
+
+# serialise results in machine readable JSON format
+json_file = open(json_file_name, "w")
+json.dump(test.properties, json_file)
+json_file.close()
+
+print("")
+print("Summary of computed properties:")
+print(test.properties)
+
+print("=" * 60)
+
+if not args.no_redirect_io:
+ sys.stdout, sys.stderr = _stdout, _stderr
+ if do_io:
+ log.close()
+
+if hasattr(model, "shutdown"):
+ model.shutdown()
diff --git a/share/Bain_path.py b/testingframework/share/Bain_path.py
similarity index 52%
rename from share/Bain_path.py
rename to testingframework/share/Bain_path.py
index 56df55abd..d32bea2fa 100644
--- a/share/Bain_path.py
+++ b/testingframework/share/Bain_path.py
@@ -1,24 +1,25 @@
import sys
import ase.atoms
-from utilities import get_relaxed_bulk, run_root, relax_config
+from testingframework.share.utilities import get_relaxed_bulk, run_root, relax_config
import numpy as np
import spglib
+
def do_Bain_path(bulk_struct_test_fcc, bcc_fcc_steps=15, extra_deformation=0.3):
- c_a_step = (1.0 - 1.0/np.sqrt(2.0))/(bcc_fcc_steps-1)
+ c_a_step = (1.0 - 1.0 / np.sqrt(2.0)) / (bcc_fcc_steps - 1)
n_steps = bcc_fcc_steps
# up
c_a_t = 1.0
- n_extra_steps = int(np.ceil( (c_a_t*(1.0+extra_deformation)-c_a_t) / c_a_step ))
+ n_extra_steps = int(np.ceil((c_a_t * (1.0 + extra_deformation) - c_a_t) / c_a_step))
n_steps += n_extra_steps
- c_a_max = 1.0 + c_a_step*n_extra_steps
+ c_a_max = 1.0 + c_a_step * n_extra_steps
# down
- c_a_t = 1.0/np.sqrt(2)
- n_extra_steps = int(np.ceil( (c_a_t - c_a_t/(1.0+extra_deformation)) / c_a_step ))
+ c_a_t = 1.0 / np.sqrt(2)
+ n_extra_steps = int(np.ceil((c_a_t - c_a_t / (1.0 + extra_deformation)) / c_a_step))
n_steps += n_extra_steps
- c_a_min = 1.0 / np.sqrt(2) - c_a_step*n_extra_steps
+ c_a_min = 1.0 / np.sqrt(2) - c_a_step * n_extra_steps
properties = {}
@@ -26,7 +27,9 @@ def do_Bain_path(bulk_struct_test_fcc, bcc_fcc_steps=15, extra_deformation=0.3):
lattice, scaled_positions, numbers = spglib.standardize_cell(source_fcc)
- at0_fcc = ase.atoms.Atoms(cell=lattice, scaled_positions=scaled_positions, numbers=numbers, pbc=[True]*3)
+ at0_fcc = ase.atoms.Atoms(
+ cell=lattice, scaled_positions=scaled_positions, numbers=numbers, pbc=[True] * 3
+ )
# assert normal cell vectors
assert np.dot(at0_fcc.cell[0], at0_fcc.cell[1]) == 0
@@ -35,7 +38,7 @@ def do_Bain_path(bulk_struct_test_fcc, bcc_fcc_steps=15, extra_deformation=0.3):
# assert that cell[0] || \hat{x}, presumably a
assert np.all(at0_fcc.cell[0][1:3] == 0)
# assert that cell[0] || \hat{y}, presumably a
- assert np.all(at0_fcc.cell[1][[0,2]] == 0)
+ assert np.all(at0_fcc.cell[1][[0, 2]] == 0)
# assert that cell[0] == cell[1]
assert np.all(at0_fcc.cell[0][0] == at0_fcc.cell[1][1])
# assert that cell[2] || \hat{z}, presumably c
@@ -51,18 +54,28 @@ def do_Bain_path(bulk_struct_test_fcc, bcc_fcc_steps=15, extra_deformation=0.3):
# fa = (c/(c_a*a))**(1/3)
a = np.linalg.norm(at.cell[0])
c = np.linalg.norm(at.cell[2])
- fa = (c/(c_a*a))**(1/3)
- fc = c_a * fa * a/c
+ fa = (c / (c_a * a)) ** (1 / 3)
+ fc = c_a * fa * a / c
at.set_cell(np.diag((fa, fa, fc)) @ at.cell, True)
- at.info['c_a'] = c_a
+ at.info["c_a"] = c_a
- at = relax_config(at, relax_pos=False, relax_cell=True, hydrostatic_strain=True,
- refine_symmetry_tol=1.0e-1, keep_symmetry=True,
- config_label=f'Bain_path_{c_a:.3}', save_traj=True, from_base_model=True,
- save_config=True)
+ at = relax_config(
+ at,
+ relax_pos=False,
+ relax_cell=True,
+ hydrostatic_strain=True,
+ refine_symmetry_tol=1.0e-1,
+ keep_symmetry=True,
+ config_label=f"Bain_path_{c_a:.3}",
+ save_traj=True,
+ from_base_model=True,
+ save_config=True,
+ )
- energies.append((c_a, at.get_potential_energy()/len(at), at.get_stress().tolist()))
+ energies.append(
+ (c_a, at.get_potential_energy() / len(at), at.get_stress().tolist())
+ )
- properties['Bain_path_E'] = energies
+ properties["Bain_path_E"] = energies
return properties
diff --git a/testingframework/share/RSS.py b/testingframework/share/RSS.py
new file mode 100644
index 000000000..45e1f50c2
--- /dev/null
+++ b/testingframework/share/RSS.py
@@ -0,0 +1,25 @@
+import ase.io
+from testingframework.share.utilities import robust_minim_cell_pos
+
+
+def do_RSS(initial_configs_file, index=":", tol=0.01):
+ import model
+
+ ats = ase.io.read(initial_configs_file, index)
+ range_slice_args = [None if i == "" else int(i) for i in index.split(":")]
+
+ print("got index ", index, "range_slice_args", range_slice_args)
+ print("using i_config", range(len(ats))[slice(*range_slice_args)])
+
+ energies = []
+ volumes = []
+ for (i_config, at) in zip(range(len(ats))[slice(*range_slice_args)], ats):
+ robust_minim_cell_pos(at, tol, "RSS_%04d" % i_config)
+ print("RSS completed minimization")
+ if hasattr(model, "fix_cell_dependence"):
+ model.fix_cell_dependence()
+ energies.append(at.get_potential_energy() / len(at))
+ volumes.append(at.get_volume() / len(at))
+ ase.io.write("RSS_relaxed_%04d.extxyz" % i_config, at)
+
+ return {"energies": energies, "volumes": volumes}
diff --git a/share/antisite.py b/testingframework/share/antisite.py
similarity index 50%
rename from share/antisite.py
rename to testingframework/share/antisite.py
index 61a382a7a..55ae8a196 100644
--- a/share/antisite.py
+++ b/testingframework/share/antisite.py
@@ -1,9 +1,15 @@
import ase.io, os.path
-from utilities import relax_config, run_root, rescale_to_relaxed_bulk, evaluate
+from testingframework.share.utilities import (
+ relax_config,
+ run_root,
+ rescale_to_relaxed_bulk,
+ evaluate,
+)
import ase.build
import numpy as np
import spglib
+
def do_one_antisite_pair(bulk_supercell, bulk_supercell_pe, i1, i2, tol=1.0e-2):
assert bulk_supercell.numbers[i1] != bulk_supercell.numbers[i2]
@@ -14,15 +20,24 @@ def do_one_antisite_pair(bulk_supercell, bulk_supercell_pe, i1, i2, tol=1.0e-2):
antisite.numbers[i2] = Z1
label = "ind_%d_Z_%d_ind_%d_Z_%d" % (i1, Z1, i2, Z2)
- unrelaxed_filename=run_root+"-%s-unrelaxed.xyz" % label
- ase.io.write(os.path.join("..", unrelaxed_filename), antisite, format='extxyz')
+ unrelaxed_filename = run_root + "-%s-unrelaxed.xyz" % label
+ ase.io.write(os.path.join("..", unrelaxed_filename), antisite, format="extxyz")
evaluate(antisite)
unrelaxed_antisite_pe = antisite.get_potential_energy()
- antisite = relax_config(antisite, relax_pos=True, relax_cell=False, tol=tol, save_traj=True,
- config_label=label, from_base_model=True, save_config=True, try_restart=True)
- relaxed_filename=run_root+"-%s-relaxed.xyz" % label
- ase.io.write(os.path.join("..", relaxed_filename), antisite, format='extxyz')
+ antisite = relax_config(
+ antisite,
+ relax_pos=True,
+ relax_cell=False,
+ tol=tol,
+ save_traj=True,
+ config_label=label,
+ from_base_model=True,
+ save_config=True,
+ try_restart=True,
+ )
+ relaxed_filename = run_root + "-%s-relaxed.xyz" % label
+ ase.io.write(os.path.join("..", relaxed_filename), antisite, format="extxyz")
# already has calculator from relax_configs
antisite_pe = antisite.get_potential_energy()
@@ -30,34 +45,61 @@ def do_one_antisite_pair(bulk_supercell, bulk_supercell_pe, i1, i2, tol=1.0e-2):
Ef = antisite_pe - bulk_supercell_pe
print("got antisite", label, "cell energy", antisite_pe, "n_atoms", len(antisite))
print("got bulk energy", bulk_supercell_pe)
- return ( label, unrelaxed_filename, Ef0, relaxed_filename, Ef, Z1, Z2 )
+ return (label, unrelaxed_filename, Ef0, relaxed_filename, Ef, Z1, Z2)
+
def do_farthest_inequiv_pairs(test_dir, tol=1.0e-2):
print("doing do_farthest_antisite_pairs")
- bulk_supercell = ase.io.read(os.path.join(test_dir, "bulk_supercell.xyz"), format="extxyz")
+ bulk_supercell = ase.io.read(
+ os.path.join(test_dir, "bulk_supercell.xyz"), format="extxyz"
+ )
print("got bulk_supercell ", len(bulk_supercell))
bulk = rescale_to_relaxed_bulk(bulk_supercell)
# relax bulk supercell positions in case it's only approximate (as it must be for different models), but stick
# to relaxed bulk's lattice constants as set by rescale_to_relaxed_bulk
- bulk_supercell = relax_config(bulk_supercell, relax_pos=True, relax_cell=False, tol=tol, save_traj=True,
- config_label="rescaled_bulk", from_base_model=True, save_config=True)
-
- ase.io.write(os.path.join("..", run_root+"-rescaled-bulk.xyz"), bulk_supercell, format='extxyz')
+ bulk_supercell = relax_config(
+ bulk_supercell,
+ relax_pos=True,
+ relax_cell=False,
+ tol=tol,
+ save_traj=True,
+ config_label="rescaled_bulk",
+ from_base_model=True,
+ save_config=True,
+ )
+
+ ase.io.write(
+ os.path.join("..", run_root + "-rescaled-bulk.xyz"),
+ bulk_supercell,
+ format="extxyz",
+ )
print("got bulk primitive cell ", bulk.get_cell())
print("got rescaled bulk_supercell cell ", bulk_supercell.get_cell())
- if 'arb_supercell' in bulk_supercell.info:
- print("making bulk supercell from", bulk_supercell.info['arb_supercell'].reshape((3,3)))
- bulk_supersupercell = ase.build.make_supercell(bulk_supercell, bulk_supercell.info['arb_supercell'].reshape((3,3)))
- print("got supersupercell with ", len(bulk_supersupercell), "atoms, cell\n", bulk_supersupercell.get_cell())
+ if "arb_supercell" in bulk_supercell.info:
+ print(
+ "making bulk supercell from",
+ bulk_supercell.info["arb_supercell"].reshape((3, 3)),
+ )
+ bulk_supersupercell = ase.build.make_supercell(
+ bulk_supercell, bulk_supercell.info["arb_supercell"].reshape((3, 3))
+ )
+ print(
+ "got supersupercell with ",
+ len(bulk_supersupercell),
+ "atoms, cell\n",
+ bulk_supersupercell.get_cell(),
+ )
bulk_supersupercell.info.update(bulk_supercell.info)
bulk_supercell = bulk_supersupercell
sym_data = spglib.get_symmetry_dataset(bulk_supercell, symprec=0.01)
- equiv_at = set([tuple(iZ) for iZ in zip(sym_data["equivalent_atoms"], bulk_supercell.numbers)])
+ equiv_at = set(
+ [tuple(iZ) for iZ in zip(sym_data["equivalent_atoms"], bulk_supercell.numbers)]
+ )
# print("equiv_at", equiv_at)
@@ -79,13 +121,31 @@ def do_farthest_inequiv_pairs(test_dir, tol=1.0e-2):
evaluate(bulk_supercell)
bulk_supercell_pe = bulk_supercell.get_potential_energy()
- properties = { "bulk_struct_test" : bulk_supercell.info["bulk_struct_test"], "bulk_E_per_atom" : bulk_supercell_pe / len(bulk_supercell), "defects" : {} }
+ properties = {
+ "bulk_struct_test": bulk_supercell.info["bulk_struct_test"],
+ "bulk_E_per_atom": bulk_supercell_pe / len(bulk_supercell),
+ "defects": {},
+ }
for i1, i2 in antisite_list:
- (label, unrelaxed_filename, Ef0, relaxed_filename, Ef, Z1, Z2) = do_one_antisite_pair(bulk_supercell, bulk_supercell_pe, i1, i2, tol)
-
- properties["defects"][label] = { 'Ef0' : Ef0, 'Ef' : Ef, 'unrelaxed_filename' : unrelaxed_filename, 'relaxed_filename' : relaxed_filename,
- 'atom_inds' : (int(i1), int(i2)), 'Zs' : (int(Z1), int(Z2)) }
+ (
+ label,
+ unrelaxed_filename,
+ Ef0,
+ relaxed_filename,
+ Ef,
+ Z1,
+ Z2,
+ ) = do_one_antisite_pair(bulk_supercell, bulk_supercell_pe, i1, i2, tol)
+
+ properties["defects"][label] = {
+ "Ef0": Ef0,
+ "Ef": Ef,
+ "unrelaxed_filename": unrelaxed_filename,
+ "relaxed_filename": relaxed_filename,
+ "atom_inds": (int(i1), int(i2)),
+ "Zs": (int(Z1), int(Z2)),
+ }
print("returning properties", properties)
return properties
diff --git a/share/find_voids.py b/testingframework/share/find_voids.py
similarity index 57%
rename from share/find_voids.py
rename to testingframework/share/find_voids.py
index 1041fee36..08abfb855 100755
--- a/share/find_voids.py
+++ b/testingframework/share/find_voids.py
@@ -1,47 +1,57 @@
import numpy as np, scipy.spatial, spglib, ase
+
def find_voids(at, transl_symprec=1.0e-1, symprec=1.0e-2):
# save original cell
cell_orig = at.get_cell()
reciprocal_cell_orig = at.get_reciprocal_cell()
# create supercell
- at_sc = at * [3,3,3]
- at_sc.set_positions(at_sc.get_positions()-np.sum(cell_orig,axis=0))
+ at_sc = at * [3, 3, 3]
+ at_sc.set_positions(at_sc.get_positions() - np.sum(cell_orig, axis=0))
# calculate Voronoi tesselation
vor = scipy.spatial.Voronoi(at_sc.get_positions())
# list possible centers from Voronoi vertices that are close to original cell
possible_centers_lat = np.matmul(vor.vertices, reciprocal_cell_orig.T)
- possible_indices = np.where(np.logical_and(np.all(possible_centers_lat >= -0.1, axis=1), np.all(possible_centers_lat < 1.1, axis = 1)))[0]
+ possible_indices = np.where(
+ np.logical_and(
+ np.all(possible_centers_lat >= -0.1, axis=1),
+ np.all(possible_centers_lat < 1.1, axis=1),
+ )
+ )[0]
# create atoms object with supercell of all possible interstitial positions
vertices = vor.vertices[possible_indices]
at_w_interst = at.copy()
- at_w_interst.extend(ase.Atoms('X{}'.format(len(possible_indices)), positions=vertices))
+ at_w_interst.extend(
+ ase.Atoms("X{}".format(len(possible_indices)), positions=vertices)
+ )
# eliminate duplicates that are equivalent by translation
dists = at_w_interst.get_all_distances(mic=True)
del_list = set()
- for i in range(len(at_w_interst)-1):
- dups = i+1 + np.where(dists[i][i+1:] < transl_symprec)[0]
+ for i in range(len(at_w_interst) - 1):
+ dups = i + 1 + np.where(dists[i][i + 1 :] < transl_symprec)[0]
del_list = del_list.union(set(dups))
del at_w_interst[list(del_list)]
dataset = spglib.get_symmetry_dataset(at_w_interst, symprec)
if dataset is not None:
- equivalent_indices = set(dataset["equivalent_atoms"][len(at):])
+ equivalent_indices = set(dataset["equivalent_atoms"][len(at) :])
else:
- equivalent_indices = set(range(len(at)+1,len(at_w_interst)))
+ equivalent_indices = set(range(len(at) + 1, len(at_w_interst)))
pos = at_w_interst.get_positions()
voids = []
for i in equivalent_indices:
- at_t = at + ase.Atom('H')
- p = at_t.get_positions(); p[-1] = pos[i]; at_t.set_positions(p)
- d = min(at_t.get_distances(len(at_t)-1, range(len(at_t)-1), mic=True))
+ at_t = at + ase.Atom("H")
+ p = at_t.get_positions()
+ p[-1] = pos[i]
+ at_t.set_positions(p)
+ d = min(at_t.get_distances(len(at_t) - 1, range(len(at_t) - 1), mic=True))
voids.append((d, pos[i][0], pos[i][1], pos[i][2]))
- return sorted(voids, key = lambda x : x[0], reverse=True)
+ return sorted(voids, key=lambda x: x[0], reverse=True)
diff --git a/testingframework/share/interstitial.py b/testingframework/share/interstitial.py
new file mode 100644
index 000000000..7798e16fc
--- /dev/null
+++ b/testingframework/share/interstitial.py
@@ -0,0 +1,271 @@
+import ase.io, os.path
+from ase import Atoms
+from testingframework.share.utilities import (
+ relax_config,
+ run_root,
+ rescale_to_relaxed_bulk,
+ evaluate,
+)
+from ase.neighborlist import NeighborList
+from ase.constraints import FixedPlane
+import numpy as np
+
+from find_voids import find_voids
+
+
+def do_one_interstitial(
+ bulk_supercell,
+ bulk_supercell_pe,
+ interstitial_Z,
+ interstitial_pos,
+ label,
+ relax_radial=0.0,
+ relax_symm_break=0.0,
+ nn_cutoff=0.0,
+ tol=1.0e-2,
+):
+
+ interst = bulk_supercell.copy()
+ interst += Atoms(numbers=[interstitial_Z], positions=[interstitial_pos])
+ interstitial_i = len(interst) - 1
+
+ if relax_radial != 0.0 or relax_symm_break != 0.0:
+ nl = NeighborList(
+ [nn_cutoff / 2.0] * len(bulk_supercell),
+ self_interaction=False,
+ bothways=True,
+ )
+ nl.update(bulk_supercell)
+ indices, offsets = nl.get_neighbors(interstitial_i)
+ offset_factor = relax_radial
+ for i, offset in zip(indices, offsets):
+ ri = interst.positions[interstitial_i] - (
+ interst.positions[i] + np.dot(offset, interst.get_cell())
+ )
+ interst.positions[i] += offset_factor * ri
+ offset_factor += relax_symm_break
+
+ if "interstitial_constraint" in bulk_supercell.info:
+ (constr_type, constr_subtype) = bulk_supercell.info[
+ "interstitial_constraint"
+ ].split()[0:2]
+
+ if constr_type == "plane":
+ if constr_subtype == "atoms":
+ indices = [
+ int(i)
+ for i in bulk_supercell.info["interstitial_constraint"].split()[2:]
+ ]
+ if len(indices) != 3:
+ raise ValueError(
+ "number of indices not 3 for plane atoms '{}'".format(
+ bulk_supercell.info["interstitial_constraint"]
+ )
+ )
+ p = interst.get_positions()
+ constr_normal = np.cross(
+ p[indices[0]] - p[indices[1]], p[indices[0]] - p[indices[2]]
+ )
+ elif constr_subtype == "vector":
+ constr_normal = np.array(
+ bulk_supercell.info["interstitial_constraint"].split()[2:]
+ )
+ else:
+ raise ValueError(
+ "unknown interstitial constraint subtype for plane '{}'".format(
+ bulk_supercell.info["interstitial_constraint"]
+ )
+ )
+
+ print("setting constraint FixedPlane with normal", constr_normal)
+ interst.set_constraint(FixedPlane(interstitial_i, constr_normal))
+ else:
+ raise ValueError(
+ "unknown interstitial constraint type '{}'".format(
+ bulk_supercell.info["interstitial_constraint"]
+ )
+ )
+
+ evaluate(interst)
+ unrelaxed_interstitial_pe = interst.get_potential_energy()
+
+ if len(set(bulk_supercell.get_atomic_numbers())) == 1:
+ Ebulk = float(len(interst)) / float(len(bulk_supercell)) * bulk_supercell_pe
+ else:
+ Ebulk = bulk_supercell_pe
+ Ef0 = unrelaxed_interstitial_pe - Ebulk
+
+ unrelaxed_filename = run_root + "-%s-unrelaxed.xyz" % label
+ ase.io.write(os.path.join("..", unrelaxed_filename), interst, format="extxyz")
+
+ print(
+ "got unrelaxed interstitial {} cell energy".format(label),
+ unrelaxed_interstitial_pe,
+ )
+
+ try:
+ interst = relax_config(
+ interst,
+ relax_pos=True,
+ relax_cell=False,
+ tol=tol,
+ save_traj=True,
+ config_label=label,
+ from_base_model=True,
+ save_config=True,
+ try_restart=True,
+ )
+
+ relaxed_filename = run_root + "-%s-relaxed.xyz" % label
+ ase.io.write(os.path.join("..", relaxed_filename), interst, format="extxyz")
+
+ interstitial_pe = interst.get_potential_energy()
+ Ef = interstitial_pe - Ebulk
+
+ print("got relaxed interstitial {} cell energy".format(label), interstitial_pe)
+ except:
+ relaxed_filename = None
+ Ef = None
+
+ print("got bulk energy", Ebulk)
+ return (unrelaxed_filename, Ef0, relaxed_filename, Ef, interstitial_i)
+
+
+def do_all_interstitials(test_dir, nn_cutoff=0.0, tol=1.0e-2):
+ print("doing do_all_interstitials")
+ bulk_supercell = ase.io.read(
+ os.path.join(test_dir, "bulk_supercell.xyz"), format="extxyz"
+ )
+ print("got bulk_supercell ", len(bulk_supercell))
+
+ bulk = rescale_to_relaxed_bulk(bulk_supercell)
+ # relax bulk supercell positions in case it's only approximate (as it must be for different models), but stick
+ # to relaxed bulk's lattice constants as set by rescale_to_relaxed_bulk
+ bulk_supercell = relax_config(
+ bulk_supercell,
+ relax_pos=True,
+ relax_cell=False,
+ tol=tol,
+ save_traj=True,
+ config_label="relaxed_bulk",
+ from_base_model=True,
+ save_config=True,
+ )
+
+ ase.io.write(
+ os.path.join("..", run_root + "-rescaled-bulk.xyz"),
+ bulk_supercell,
+ format="extxyz",
+ )
+
+ print("got bulk primitive cell ", bulk.get_cell())
+ print("got rescaled bulk_supercell cell ", bulk_supercell.get_cell())
+
+ try: # Cartesian 3-vector
+ interstitial_pos_l = [
+ np.array([float(x) for x in bulk_supercell.info["interstitials"]])
+ ]
+ if len(interstitial_pos_l) != 3:
+ raise ValueError("not a 3-vector")
+ except:
+ interstitial_pos_type = bulk_supercell.info["interstitials"].split()[0]
+ if interstitial_pos_type == "mean":
+ neighbor_indices = [
+ int(i) for i in bulk_supercell.info["interstitials"].split()[1:]
+ ]
+ if len(neighbor_indices) < 2:
+ raise ValueError(
+ "interstitial position type mean, but {} < 2 indices".format(
+ len(neighbor_indices)
+ )
+ )
+ interstitial_pos_l = [
+ np.sum(bulk_supercell.get_positions()[neighbor_indices], axis=0)
+ / float(len(neighbor_indices))
+ ]
+ elif interstitial_pos_type == "inequivalent":
+ if "arb_supercell" in bulk_supercell.info:
+ print(
+ "making bulk supercell from",
+ bulk_supercell.info["arb_supercell"].reshape((3, 3)),
+ )
+ bulk_supersupercell = ase.build.make_supercell(
+ bulk_supercell, bulk_supercell.info["arb_supercell"].reshape((3, 3))
+ )
+ print(
+ "got supersupercell with ",
+ len(bulk_supersupercell),
+ "atoms, cell\n",
+ bulk_supersupercell.get_cell(),
+ )
+ voids = find_voids(bulk_supercell)
+ interstitial_pos_l = [(v[1], v[2], v[3]) for v in voids]
+
+ bulk_supersupercell.info.update(bulk_supercell.info)
+ bulk_supercell = bulk_supersupercell
+ else:
+ raise ValueError(
+ "Unknown interstitial position type in '"
+ + bulk_supercell.info["interstitials"]
+ + "'"
+ )
+
+ evaluate(bulk_supercell)
+ bulk_supercell_pe = bulk_supercell.get_potential_energy()
+ properties = {
+ "bulk_struct_test": bulk_supercell.info["bulk_struct_test"],
+ "bulk_E_per_atom": bulk_supercell_pe / len(bulk_supercell),
+ "defects": {},
+ }
+
+ Z_list = (
+ [bulk_supercell.info["Zs"]]
+ if isinstance(bulk_supercell.info["Zs"], (int, np.integer))
+ else bulk_supercell.info["Zs"]
+ )
+
+ for interstitial_Z in Z_list:
+ try:
+ relax_radial = bulk_supercell.info["relax_radial_{}".format(interstitial_Z)]
+ except:
+ relax_radial = 0.0
+ try:
+ relax_symm_break = bulk_supercell.info[
+ "relax_symm_break_{}".format(interstitial_Z)
+ ]
+ except:
+ relax_symm_break = 0.0
+
+ for interst_i, interst_pos in enumerate(interstitial_pos_l):
+ label = f"Z_{interstitial_Z}_pos_{interst_i}"
+ (
+ unrelaxed_filename,
+ Ef0,
+ relaxed_filename,
+ Ef,
+ interstitial_i,
+ ) = do_one_interstitial(
+ bulk_supercell,
+ bulk_supercell_pe,
+ interstitial_Z,
+ interst_pos,
+ label,
+ relax_radial,
+ relax_symm_break,
+ nn_cutoff,
+ tol,
+ )
+
+ properties["defects"][label] = {
+ "Ef0": Ef0,
+ "Ef": Ef,
+ "unrelaxed_filename": unrelaxed_filename,
+ "relaxed_filename": relaxed_filename,
+ "atom_ind": int(interstitial_i),
+ "Z": int(interstitial_Z),
+ "pos_index": interst_i,
+ }
+ if len(set(bulk_supercell.get_atomic_numbers())) != 1:
+ properties["defects"][label]["dmu"] = [-1, int(interstitial_Z)]
+
+ return properties
diff --git a/testingframework/share/lattice.py b/testingframework/share/lattice.py
new file mode 100644
index 000000000..155910031
--- /dev/null
+++ b/testingframework/share/lattice.py
@@ -0,0 +1,310 @@
+import numpy as np
+from testingframework.share.utilities import relax_config, run_root
+import ase.io, sys, os.path
+from ase.optimize.precon import PreconLBFGS
+import matscipy.elasticity
+from ase.units import GPa
+
+# Calculate B for Hexagonal, Tetragonal & Trigonal
+# DOI: 10.1103/PhysRevB.77.104118 Eq. (29)
+def HTT_B(c11, c33, c12, c13):
+ numerator = c33 * (c11 + c12) - 2 * c13 ** 2
+ denominator = c11 + c12 + 2 * c33 - 4 * c13
+
+ return numerator / denominator
+
+
+# Mater Trans v 53 p 1247 (2012), Eq. 4-10
+def VRH_B(c11, c33, c12, c13, c44, c66):
+ Bv = (1.0 / 9.0) * (2.0 * (c11 + c12) + c33 + 4.0 * c13)
+
+ M = c11 + c12 + 2.0 * c33 - 4.0 * c13
+ Csq = (c11 + c12) * c33 - 2.0 * c13 ** 2
+ Br = Csq / M
+
+ return (Bv + Br) / 2.0
+
+
+def calc_E_vs_V(
+ bulk, dV=0.025, n_steps=(-10, 10), tol=1e-2, method="lbfgs"
+): # hack tol to deal with Te C2/m
+ import model
+
+ V0 = bulk.get_volume()
+ dV *= V0
+ E_vs_V = []
+
+ scaled_bulk = bulk.copy()
+ for i in range(0, n_steps[0] - 1, -1):
+ V_cur = scaled_bulk.get_volume()
+ scaled_bulk.set_cell(
+ scaled_bulk.get_cell() * ((V0 + i * dV) / V_cur) ** (1.0 / 3.0),
+ scale_atoms=True,
+ )
+ ase.io.write(sys.stdout, scaled_bulk, format="extxyz")
+ print("trying to relax i", i)
+ try:
+ if hasattr(model, "fix_cell_dependence"):
+ model.fix_cell_dependence(scaled_bulk)
+ ase.io.write(
+ run_root + "-E_vs_V_%03d-unrelaxed.xyz" % i,
+ scaled_bulk,
+ format="extxyz",
+ )
+ scaled_bulk = relax_config(
+ scaled_bulk,
+ relax_pos=True,
+ relax_cell=True,
+ tol=tol,
+ max_steps=200,
+ save_traj=True,
+ constant_volume=True,
+ method=method,
+ refine_symmetry_tol=1.0e-1,
+ keep_symmetry=True,
+ config_label="E_vs_V_%03d" % i,
+ from_base_model=True,
+ save_config=True,
+ )
+ except Exception as e:
+ print("WARNING: failed config in calc_E_vs_V", str(e))
+ sys.exit(1) #### NB
+ break
+ ase.io.write(sys.stdout, scaled_bulk, format="extxyz")
+ E_vs_V.insert(
+ 0,
+ (
+ scaled_bulk.get_volume() / len(scaled_bulk),
+ scaled_bulk.get_potential_energy() / len(bulk),
+ list(scaled_bulk.get_stress()),
+ ),
+ )
+
+ scaled_bulk = bulk.copy()
+ for i in range(1, n_steps[1] + 1):
+ V_cur = scaled_bulk.get_volume()
+ scaled_bulk.set_cell(
+ scaled_bulk.get_cell() * ((V0 + i * dV) / V_cur) ** (1.0 / 3.0),
+ scale_atoms=True,
+ )
+ ase.io.write(sys.stdout, scaled_bulk, format="extxyz")
+ print("trying to relax i", i)
+ try:
+ if hasattr(model, "fix_cell_dependence"):
+ model.fix_cell_dependence(scaled_bulk)
+ ase.io.write(
+ run_root + "-E_vs_V_%02d-unrelaxed.xyz" % i,
+ scaled_bulk,
+ format="extxyz",
+ )
+ scaled_bulk = relax_config(
+ scaled_bulk,
+ relax_pos=True,
+ relax_cell=True,
+ tol=tol,
+ max_steps=200,
+ save_traj=True,
+ constant_volume=True,
+ method=method,
+ refine_symmetry_tol=1.0e-1,
+ keep_symmetry=True,
+ config_label="E_vs_V_%02d" % i,
+ from_base_model=True,
+ save_config=True,
+ )
+ except Exception as e:
+ print("failed", str(e))
+ break
+ ase.io.write(sys.stdout, scaled_bulk, format="extxyz")
+ E_vs_V.append(
+ (
+ scaled_bulk.get_volume() / len(scaled_bulk),
+ scaled_bulk.get_potential_energy() / len(bulk),
+ list(scaled_bulk.get_stress()),
+ )
+ )
+
+ if hasattr(model, "fix_cell_dependence"):
+ model.fix_cell_dependence()
+
+ return E_vs_V
+
+
+def do_lattice(
+ test_dir,
+ lattice_type,
+ dV=0.025,
+ n_steps=(-10, 10),
+ tol=1.0e-2,
+ method="lbfgs",
+ applied_P=0.0,
+):
+
+ import model
+
+ bulk = ase.io.read(test_dir + "/bulk.xyz", format="extxyz")
+
+ results_dict = {}
+
+ print("relax bulk")
+ # relax the initial unit cell and atomic positions
+ (orig_cell, new_cell) = (None, None)
+ while (
+ new_cell is None
+ or np.max(np.abs(np.dot(np.linalg.inv(new_cell), orig_cell) - np.eye(3))) > 0.05
+ ):
+ if hasattr(model, "fix_cell_dependence"):
+ model.fix_cell_dependence(bulk)
+ orig_cell = bulk.get_cell()
+ bulk = relax_config(
+ bulk,
+ relax_pos=True,
+ relax_cell=True,
+ tol=tol,
+ save_traj=True,
+ method=method,
+ refine_symmetry_tol=1.0e-2,
+ keep_symmetry=True,
+ config_label="bulk",
+ from_base_model=True,
+ save_config=True,
+ applied_P=applied_P,
+ )
+ new_cell = bulk.get_cell()
+ if hasattr(model, "fix_cell_dependence"):
+ model.fix_cell_dependence()
+ else:
+ break
+
+ print("final relaxed bulk")
+ ase.io.write(sys.stdout, bulk, format="extxyz")
+ ase.io.write(os.path.join("..", run_root + "-relaxed.xyz"), bulk, format="extxyz")
+
+ print("calculating E vs. V")
+ E_vs_V = calc_E_vs_V(bulk, dV=dV, n_steps=n_steps, tol=tol)
+ results_dict.update({"E_vs_V": E_vs_V})
+
+ print("calculating elastic constants")
+
+ if hasattr(model, "fix_cell_dependence"):
+ model.fix_cell_dependence(bulk)
+
+ opt = lambda atoms, **kwargs: PreconLBFGS(atoms, **kwargs)
+ if lattice_type == "cubic":
+ elastic_consts = matscipy.elasticity.fit_elastic_constants(
+ bulk, symmetry="cubic", optimizer=opt, logfile=sys.stdout
+ )
+ c11 = elastic_consts[0][0, 0] / GPa
+ c12 = elastic_consts[0][0, 1] / GPa
+ c44 = elastic_consts[0][3, 3] / GPa
+ results_dict.update(
+ {"c11": c11, "c12": c12, "c44": c44, "B": (c11 + 2.0 * c12) / 3.0}
+ )
+ elif lattice_type == "orthorhombic":
+ elastic_consts = matscipy.elasticity.fit_elastic_constants(
+ bulk, optimizer=opt, logfile=sys.stdout
+ )
+ c11 = elastic_consts[0][0, 0] / GPa
+ c22 = elastic_consts[0][1, 1] / GPa
+ c33 = elastic_consts[0][2, 2] / GPa
+ c12 = elastic_consts[0][0, 1] / GPa
+ c13 = elastic_consts[0][0, 2] / GPa
+ c23 = elastic_consts[0][1, 2] / GPa
+ c44 = elastic_consts[0][3, 3] / GPa
+ c55 = elastic_consts[0][4, 4] / GPa
+ c66 = elastic_consts[0][5, 5] / GPa
+ results_dict.update(
+ {
+ "c11": c11,
+ "c22": c22,
+ "c33": c33,
+ "c12": c12,
+ "c13": c13,
+ "c23": c23,
+ "c44": c44,
+ "c55": c55,
+ "c66": c66,
+ }
+ )
+ elif lattice_type == "tetragonal":
+ elastic_consts = matscipy.elasticity.fit_elastic_constants(
+ bulk, symmetry="tetragonal_high", optimizer=opt, logfile=sys.stdout
+ )
+ c11 = elastic_consts[0][0, 0] / GPa
+ c33 = elastic_consts[0][2, 2] / GPa
+ c12 = elastic_consts[0][0, 1] / GPa
+ c13 = elastic_consts[0][0, 2] / GPa
+ c44 = elastic_consts[0][3, 3] / GPa
+ c66 = elastic_consts[0][5, 5] / GPa
+ results_dict.update(
+ {
+ "c11": c11,
+ "c33": c33,
+ "c12": c12,
+ "c13": c13,
+ "c44": c44,
+ "c66": c66,
+ "B": VRH_B(c11, c33, c12, c13, c44, c66),
+ }
+ )
+ elif lattice_type == "hexagonal":
+ # Need to check if hexagonal structures are truly trigonal_high
+ # symmetry=triginal_high not hexagonal until matscipy is debugged
+ elastic_consts = matscipy.elasticity.fit_elastic_constants(
+ bulk, symmetry="trigonal_high", optimizer=opt, logfile=sys.stdout
+ )
+ c11 = elastic_consts[0][0, 0] / GPa
+ c33 = elastic_consts[0][2, 2] / GPa
+ c12 = elastic_consts[0][0, 1] / GPa
+ c13 = elastic_consts[0][0, 2] / GPa
+ c44 = elastic_consts[0][3, 3] / GPa
+ c14 = elastic_consts[0][0, 3] / GPa
+ c15 = elastic_consts[0][0, 4] / GPa
+ c25 = elastic_consts[0][1, 4] / GPa
+ c66 = elastic_consts[0][5, 5] / GPa
+ results_dict.update(
+ {
+ "c11": c11,
+ "c33": c33,
+ "c12": c12,
+ "c13": c13,
+ "c44": c44,
+ "c14": c14,
+ "c15": c15,
+ "c25": c25,
+ "c66": c66,
+ "B": HTT_B(c11, c33, c12, c13),
+ }
+ )
+ elif lattice_type == "trigonal":
+ elastic_consts = matscipy.elasticity.fit_elastic_constants(
+ bulk, symmetry="trigonal_high", optimizer=opt, logfile=sys.stdout
+ )
+ c11 = elastic_consts[0][0, 0] / GPa
+ c33 = elastic_consts[0][2, 2] / GPa
+ c12 = elastic_consts[0][0, 1] / GPa
+ c13 = elastic_consts[0][0, 2] / GPa
+ c44 = elastic_consts[0][3, 3] / GPa
+ c14 = elastic_consts[0][0, 3] / GPa
+ c15 = elastic_consts[0][0, 4] / GPa
+ c25 = elastic_consts[0][1, 4] / GPa
+ c66 = elastic_consts[0][5, 5] / GPa
+ results_dict.update(
+ {
+ "c11": c11,
+ "c33": c33,
+ "c12": c12,
+ "c13": c13,
+ "c44": c44,
+ "c14": c14,
+ "c15": c15,
+ "c25": c25,
+ "c66": c66,
+ "B": HTT_B(c11, c33, c12, c13),
+ }
+ )
+
+ if hasattr(model, "fix_cell_dependence"):
+ model.fix_cell_dependence()
+
+ return results_dict
diff --git a/share/phonons.py b/testingframework/share/phonons.py
similarity index 65%
rename from share/phonons.py
rename to testingframework/share/phonons.py
index 4c1e454fa..09fd7a5e1 100644
--- a/share/phonons.py
+++ b/testingframework/share/phonons.py
@@ -1,22 +1,32 @@
import sys
-from utilities import *
+from testingframework.share.utilities import *
import numpy as np
import phonopy
import ase.units
+
def do_phonons(bulk_struct_tests, n_supercell, band_paths=None, dx=0.01):
if band_paths is not None and len(band_paths) != len(bulk_struct_tests):
- raise RuntimeError("got {} bulk structs but different {} band paths".format(len(bulk_struct_tests), len(band_paths)))
+ raise RuntimeError(
+ "got {} bulk structs but different {} band paths".format(
+ len(bulk_struct_tests), len(band_paths)
+ )
+ )
properties = {}
for bulk_i, bulk_struct_test in enumerate(bulk_struct_tests):
at0 = get_relaxed_bulk(bulk_struct_test)
# magnetic moments could change the symmetry, ignored here for now
- phonopy_atoms = phonopy.structure.atoms.PhonopyAtoms( symbols=at0.get_chemical_symbols(),
- scaled_positions=at0.get_scaled_positions(),
- masses=at0.get_masses(), cell=at0.get_cell() )
-
- phonons = phonopy.Phonopy( phonopy_atoms, np.diag([n_supercell]*3), factor=phonopy.units.VaspToTHz )
+ phonopy_atoms = phonopy.structure.atoms.PhonopyAtoms(
+ symbols=at0.get_chemical_symbols(),
+ scaled_positions=at0.get_scaled_positions(),
+ masses=at0.get_masses(),
+ cell=at0.get_cell(),
+ )
+
+ phonons = phonopy.Phonopy(
+ phonopy_atoms, np.diag([n_supercell] * 3), factor=phonopy.units.VaspToTHz
+ )
phonons.generate_displacements(distance=dx)
# convert from chosen Phonopy units (THz) to cm^-1
@@ -30,9 +40,14 @@ def do_phonons(bulk_struct_tests, n_supercell, band_paths=None, dx=0.01):
at0_sc = at0 * n_supercell
# reorder at0_sc to match order from phonopy
- at = ase.Atoms(pbc=True, cell=displ_supercells[0].get_cell(), positions=displ_supercells[0].get_positions(), numbers=displ_supercells[0].get_atomic_numbers())
+ at = ase.Atoms(
+ pbc=True,
+ cell=displ_supercells[0].get_cell(),
+ positions=displ_supercells[0].get_positions(),
+ numbers=displ_supercells[0].get_atomic_numbers(),
+ )
matched_pos = np.zeros(at.positions.shape)
- mapping = [-1]*len(at)
+ mapping = [-1] * len(at)
at0_sc_scaled_pos = at0_sc.get_scaled_positions()
at_scaled_pos = at.get_scaled_positions()
for at0_sc_i in range(len(at)):
@@ -51,7 +66,12 @@ def do_phonons(bulk_struct_tests, n_supercell, band_paths=None, dx=0.01):
sys.stderr.write("Creating {} displacements\n".format(len(displ_supercells)))
at_sets = []
for (displ_i, displ_config) in enumerate(displ_supercells):
- at = ase.Atoms(pbc=True, cell=displ_config.get_cell(), positions=displ_config.get_positions(), numbers=displ_config.get_atomic_numbers())
+ at = ase.Atoms(
+ pbc=True,
+ cell=displ_config.get_cell(),
+ positions=displ_config.get_positions(),
+ numbers=displ_config.get_atomic_numbers(),
+ )
at_sets.append(at)
# ase.io.write("DISPL_{}.{}".format(displ_i, file_label), at)
@@ -69,7 +89,7 @@ def do_phonons(bulk_struct_tests, n_supercell, band_paths=None, dx=0.01):
for (displ_i, at) in enumerate(at_sets):
at0_sc.set_positions(at.positions)
at0_sc.set_cell(at.get_cell())
- sys.stderr.write("start evaluate displacement {}\n". format(displ_i))
+ sys.stderr.write("start evaluate displacement {}\n".format(displ_i))
evaluate(at0_sc)
f = at0_sc.get_forces()
all_forces.append(f)
@@ -82,10 +102,20 @@ def do_phonons(bulk_struct_tests, n_supercell, band_paths=None, dx=0.01):
Nat = all_forces[0].shape[0]
for f in all_forces:
f -= f0
- f -= np.outer(np.ones(Nat), np.sum(f, axis=0)/Nat)
+ f -= np.outer(np.ones(Nat), np.sum(f, axis=0) / Nat)
all_forces = np.asarray(all_forces)
- properties[bulk_struct_test] = { 'dx' : dx, 'all_forces' : all_forces.tolist(), 'symb' : at0.get_chemical_symbols(), 'scaled_pos' : at0.get_scaled_positions().tolist(), 'm' : at0.get_masses().tolist(), 'c' : at0.get_cell().tolist(), 'n_cell' : np.diag([n_supercell]*3).tolist(), 'unit_factor' : phonopy.units.VaspToTHz, 'band_path' : band_paths[bulk_i] }
+ properties[bulk_struct_test] = {
+ "dx": dx,
+ "all_forces": all_forces.tolist(),
+ "symb": at0.get_chemical_symbols(),
+ "scaled_pos": at0.get_scaled_positions().tolist(),
+ "m": at0.get_masses().tolist(),
+ "c": at0.get_cell().tolist(),
+ "n_cell": np.diag([n_supercell] * 3).tolist(),
+ "unit_factor": phonopy.units.VaspToTHz,
+ "band_path": band_paths[bulk_i],
+ }
####################################################################################################
diff --git a/share/rdf.py b/testingframework/share/rdf.py
similarity index 64%
rename from share/rdf.py
rename to testingframework/share/rdf.py
index c66b2f5e4..88760560f 100644
--- a/share/rdf.py
+++ b/testingframework/share/rdf.py
@@ -1,28 +1,31 @@
import sys
import os
import ase.io
-import numpy as np
-import matplotlib.pyplot as plt
-from ase.neighborlist import neighbor_list
+import numpy as np
+import matplotlib.pyplot as plt
+from ase.neighborlist import neighbor_list
-#=================================================================
+# =================================================================
# For persistance of np arrays, saving
+
def data_save(uid, array_2d, midpoints):
np.savetxt("midpoints_{}.txt".format(uid), midpoints)
np.savetxt("array-2d_{}.txt".format(uid), array_2d)
-#=================================================================
+
+# =================================================================
# For persistance of np arrays, loading
+
def data_load(uid):
midpoints = np.loadtxt("midpoints_{}.txt".format(uid))
- array_2d = np.loadtxt("array-2d_{}.txt".format(uid))
-
+ array_2d = np.loadtxt("array-2d_{}.txt".format(uid))
+
return array_2d, midpoints
-#=================================================================
+# =================================================================
def getCoord(x, y, rho, cutoff, sum=True):
"""
Returns either the coordination number (default) or the 1d normalised array
@@ -44,17 +47,17 @@ def getCoord(x, y, rho, cutoff, sum=True):
# Calculate the bin width
dr = x[1] - x[0]
-
+
# Shorten x & y to the cutoff
x = x[:i]
y = y[:i]
-
+
# Intergrate
integral = np.zeros(len(x))
for i, r in enumerate(x):
# int(o,r') g(r) * r^2 dr
- integral[i] = (y[i] * dr) * r**2
-
+ integral[i] = (y[i] * dr) * r ** 2
+
# Normalise
norm_integral = 4 * np.pi * rho * integral
@@ -64,8 +67,17 @@ def getCoord(x, y, rho, cutoff, sum=True):
return norm_integral
-#=================================================================
-def get_rdf(atoms_list, cutoff_size, s1=None, s2=None, bins=200, save=False, comment="", verbose=False):
+# =================================================================
+def get_rdf(
+ atoms_list,
+ cutoff_size,
+ s1=None,
+ s2=None,
+ bins=200,
+ save=False,
+ comment="",
+ verbose=False,
+):
"""
Returns a 2d array with each row the normalised histogram for that index
in the atoms list, and a 1d array for the mid point of each bin (column
@@ -83,26 +95,38 @@ def get_rdf(atoms_list, cutoff_size, s1=None, s2=None, bins=200, save=False, com
verbose - bool - Set to true for increased verbosity
"""
- # Filename
+ # Filename
if s1 == None:
- species_str = "all"
+ species_str = "all"
else:
- species_str = "{}-{}".format(s1, s2)
- uid = "species-{}_bins-{}_{}".format(species_str, bins, comment)
-
- # Load Data and exit if it exists
- if save and os.path.isfile("midpoints_{}.txt".format(uid)) and os.path.isfile("array-2d_{}.txt".format(uid)):
+ species_str = "{}-{}".format(s1, s2)
+ uid = "species-{}_bins-{}_{}".format(species_str, bins, comment)
+
+ # Load Data and exit if it exists
+ if (
+ save
+ and os.path.isfile("midpoints_{}.txt".format(uid))
+ and os.path.isfile("array-2d_{}.txt".format(uid))
+ ):
if verbose:
- print("Found data, loading from files: `midpoints_{uid:}.txt` & `array-2d_{uid:}.txt`".format(uid=uid))
+ print(
+ "Found data, loading from files: `midpoints_{uid:}.txt` & `array-2d_{uid:}.txt`".format(
+ uid=uid
+ )
+ )
return data_load(uid)
if type(atoms_list) is not list:
raise ValueError("atoms_list must be a list object.")
- if type(s1) is int and type(s2) is int:
+ if type(s1) is int and type(s2) is int:
if verbose:
- print("Setting cutoff to species pair ({},{}), with range {}".format(s1, s2, cutoff_size))
- cutoff = {(s1, s2) : cutoff_size}
+ print(
+ "Setting cutoff to species pair ({},{}), with range {}".format(
+ s1, s2, cutoff_size
+ )
+ )
+ cutoff = {(s1, s2): cutoff_size}
else:
if verbose:
print("Setting cutoff to all pairs, with range {}".format(cutoff_size))
@@ -112,9 +136,9 @@ def get_rdf(atoms_list, cutoff_size, s1=None, s2=None, bins=200, save=False, com
count_normd_2d = np.zeros((len(atoms_list), bins))
# j = count, i = index in atoms file
- for j, atoms in enumerate(atoms_list):
+ for j, atoms in enumerate(atoms_list):
list_d = neighbor_list("d", atoms, cutoff)
-
+
# n_partices counted in the ase neighbor_list, which we must divide by later
if type(cutoff) != dict:
n_particles = len(atoms)
@@ -123,32 +147,50 @@ def get_rdf(atoms_list, cutoff_size, s1=None, s2=None, bins=200, save=False, com
if s1 == s2:
n_particles = n_particles / 2
- #========================================
- count, bin_edges = np.histogram(list_d, bins=bins, range=(0, cutoff_size))
-
+ # ========================================
+ count, bin_edges = np.histogram(list_d, bins=bins, range=(0, cutoff_size))
+
# Average number denisty of the system
- rho = len(atoms) / atoms.get_volume()
+ rho = len(atoms) / atoms.get_volume()
# (( #P / Volume of the spherical shell) / number density of the system) / number of particles counted
- count_normd_2d[j,:] = ((count / (4.0 * np.pi / 3.0 * (bin_edges[1:]**3 - bin_edges[:-1]**3))) / rho ) / n_particles
+ count_normd_2d[j, :] = (
+ (count / (4.0 * np.pi / 3.0 * (bin_edges[1:] ** 3 - bin_edges[:-1] ** 3)))
+ / rho
+ ) / n_particles
if verbose:
- sys.stdout.write("Index: {:4.0f} | Number of pairs: {:>6} | {:>5.1f}%\r".format(j, len(list_d), ((j+1)/len(atoms_list))*100))
+ sys.stdout.write(
+ "Index: {:4.0f} | Number of pairs: {:>6} | {:>5.1f}%\r".format(
+ j, len(list_d), ((j + 1) / len(atoms_list)) * 100
+ )
+ )
sys.stdout.flush()
if verbose:
- # Newline after sys.stdout.write() to move to the line beneith the
+ # Newline after sys.stdout.write() to move to the line beneith the
# current line of output as we '\r ' rather than '\n' newlining
print()
# Calculate the midpoint of each bin
bins_centre = (bin_edges[:-1] + bin_edges[1:]) / 2
-
+
if save:
data_save(uid, count_normd_2d, bins_centre)
return count_normd_2d, bins_centre
-#=================================================================
-def block_average(atoms_list, cutoff_size, n_blocks=10, s1=None, s2=None, bins=200, save=False, comment="", verbose=False):
+
+# =================================================================
+def block_average(
+ atoms_list,
+ cutoff_size,
+ n_blocks=10,
+ s1=None,
+ s2=None,
+ bins=200,
+ save=False,
+ comment="",
+ verbose=False,
+):
"""
Return an n (bins) by m (blocks) array of the average rdf for each block.
@@ -158,22 +200,25 @@ def block_average(atoms_list, cutoff_size, n_blocks=10, s1=None, s2=None, bins=2
see get_rdf for the further arguments
"""
- array_2d, midpoints = get_rdf(atoms_list, cutoff_size, s1, s2, bins, save, comment, verbose)
+ array_2d, midpoints = get_rdf(
+ atoms_list, cutoff_size, s1, s2, bins, save, comment, verbose
+ )
block_avg_2d = np.zeros((n_blocks, bins))
- widths = np.arange(1, n_blocks+1, 1) * (len(atoms_list) / n_blocks)
+ widths = np.arange(1, n_blocks + 1, 1) * (len(atoms_list) / n_blocks)
if verbose:
print("Block widths are: {}".format(widths))
for i, width in enumerate(widths):
- block_avg_2d[i,:] = np.mean(array_2d[:int(width), :], axis=0)
+ block_avg_2d[i, :] = np.mean(array_2d[: int(width), :], axis=0)
return block_avg_2d, midpoints
-#===========================================
-def lammps2atoms(atoms_list, lammps_element={1 : "C", 2 : "Si"}):
+
+# ===========================================
+def lammps2atoms(atoms_list, lammps_element={1: "C", 2: "Si"}):
"""
Takes an atoms list, fixes it, and returns the fixed list.
@@ -181,26 +226,26 @@ def lammps2atoms(atoms_list, lammps_element={1 : "C", 2 : "Si"}):
atoms_list: list of ase Atoms objects. (Will accept a single Atoms object)
lammps_element: dictionary of lammps element number to chemical symbol lookup
"""
-
+
new_atoms_list = []
for j, atoms in enumerate(atoms_list):
# Convert from lammps numbers to correct symbols
for i, atom in enumerate(atoms):
- element = atoms.arrays["element"][i]
+ element = atoms.arrays["element"][i]
atom.symbol = lammps_element[element]
- atom.mass = atoms.arrays["mass"][i]
+ atom.mass = atoms.arrays["mass"][i]
# Remove unneeded array values
del atoms.arrays["mass"]
del atoms.arrays["element"]
-
+
# Fix info
atoms.info["time"] = float(atoms.info["time"])
-
+
# Append the new atoms object to the new list
new_atoms_list.append(atoms)
-
+
if len(new_atoms_list) == 1:
new_atoms_list = new_atoms_list[0]
-
+
return new_atoms_list
diff --git a/testingframework/share/surface.py b/testingframework/share/surface.py
new file mode 100644
index 000000000..8666d3c17
--- /dev/null
+++ b/testingframework/share/surface.py
@@ -0,0 +1,78 @@
+import ase.io, os
+from testingframework.share.utilities import (
+ relax_config,
+ model_test_root,
+ run_root,
+ rescale_to_relaxed_bulk,
+ evaluate,
+)
+import numpy as np
+
+# the current
+import model
+
+
+def do_symmetric_surface(test_dir, in_plane_supercell=[1, 1], pert_pos=0.0):
+ assert len(supercell) == 2
+
+ surf = ase.io.read(test_dir + "/surface.xyz", format="extxyz")
+ surf *= list(in_plane_supercell) + [1]
+
+ if pert_pos > 0.0:
+ surf.rattle(pert_pos)
+
+ bulk = rescale_to_relaxed_bulk(surf)
+ bulk_Zs = bulk.get_atomic_numbers()
+ evaluate(bulk)
+ bulk_cell = bulk.get_cell()
+ bulk_E = bulk.get_potential_energy()
+
+ try:
+ model.reset_config()
+ except AttributeError:
+ pass
+
+ print("got relaxed bulk cell ", bulk_cell)
+ print("got rescaled surf cell ", surf.get_cell())
+
+ # relax surface system
+ tol = 1.0e-2
+ surf = relax_config(
+ surf,
+ relax_pos=True,
+ relax_cell=False,
+ tol=tol,
+ save_traj=True,
+ config_label="surface",
+ from_base_model=True,
+ save_config=True,
+ try_restart=True,
+ )
+
+ ase.io.write(os.path.join("..", run_root + "-relaxed.xyz"), surf, format="extxyz")
+
+ # check stoichiometry and number of bulk cell energies to subtract
+ surf_Zs = surf.get_atomic_numbers()
+ Z0 = bulk_Zs[0]
+ n_bulk_cells = float(sum(surf_Zs == Z0)) / float(sum(bulk_Zs == Z0))
+ if len(set(bulk_Zs)) == 1:
+ n_dmu = None
+ else:
+ n_dmu = {}
+ for Z in set(bulk_Zs):
+ # make sure types are JSON compatible
+ n_dmu[int(Z)] = float(n_bulk_cells * sum(bulk_Zs == Z) - sum(surf_Zs == Z))
+
+ # calculate surface energy
+ area = np.linalg.norm(np.cross(surf.get_cell()[0, :], surf.get_cell()[1, :]))
+
+ print("got surface cell potential energy", surf.get_potential_energy())
+ print("got bulk potential energy", bulk_E * n_bulk_cells)
+ print("got area", area)
+
+ return {
+ "bulk_struct_test": surf.info["bulk_struct_test"],
+ "Ef": (surf.get_potential_energy() - bulk_E * n_bulk_cells) / (2.0 * area),
+ "dmu": n_dmu,
+ "filename": run_root + "-relaxed.xyz",
+ }
diff --git a/share/utilities.py b/testingframework/share/utilities.py
similarity index 55%
rename from share/utilities.py
rename to testingframework/share/utilities.py
index 28cf276a0..2c8764c27 100644
--- a/share/utilities.py
+++ b/testingframework/share/utilities.py
@@ -3,7 +3,12 @@
from ase.calculators.singlepoint import SinglePointCalculator
from ase.optimize import FIRE
from ase.optimize.precon import PreconLBFGS
-from ase.constraints import ExpCellFilter, FixAtoms, voigt_6_to_full_3x3_stress, full_3x3_to_voigt_6_stress
+from ase.constraints import (
+ ExpCellFilter,
+ FixAtoms,
+ voigt_6_to_full_3x3_stress,
+ full_3x3_to_voigt_6_stress,
+)
from ase.units import GPa
import numpy as np
import os.path
@@ -19,20 +24,23 @@
from ase.spacegroup.symmetrize import FixSymmetry, check_symmetry, refine_symmetry
-#from quippy.io import AtomsWriter
-#from quippy.cinoutput import CInOutput,OUTPUT
-#from quippy.atoms import Atoms
+# from quippy.io import AtomsWriter
+# from quippy.cinoutput import CInOutput,OUTPUT
+# from quippy.atoms import Atoms
+
def path_of_file(file):
return os.path.abspath(os.path.dirname(file))
+
def name_of_file(file):
- if '/' in file:
+ if "/" in file:
name = os.path.basename(file)
else:
name = file
return name
+
def model_test_root(u_model_name=None, u_test_name=None, base_model=False):
if u_model_name is None:
if base_model:
@@ -41,12 +49,21 @@ def model_test_root(u_model_name=None, u_test_name=None, base_model=False):
u_model_name = model_name
if u_test_name is None:
u_test_name = test_name
- if system_label != '':
- return '{0}-model-{1}-test-{2}'.format(system_label, u_model_name, u_test_name)
+ if system_label != "":
+ return "{0}-model-{1}-test-{2}".format(system_label, u_model_name, u_test_name)
else:
- return 'model-{0}-test-{1}'.format(model_name, test_name)
-
-def sd2_run(log_prefix, config_minim, tol, converged, max_iter=1000, max_cell_vec_change_ratio=3.0, exception_if_invalid_config = None):
+ return "model-{0}-test-{1}".format(model_name, test_name)
+
+
+def sd2_run(
+ log_prefix,
+ config_minim,
+ tol,
+ converged,
+ max_iter=1000,
+ max_cell_vec_change_ratio=3.0,
+ exception_if_invalid_config=None,
+):
traj = []
x = config_minim.get_positions()
# x_old = 0.0
@@ -67,81 +84,113 @@ def sd2_run(log_prefix, config_minim, tol, converged, max_iter=1000, max_cell_ve
underlying_atoms.info["n_minim_iter"] += 1
if initial_cell_mag is not None:
cur_cell_mag = np.linalg.norm(config_minim.atoms.get_cell(), axis=1)
- if np.max(cur_cell_mag/initial_cell_mag) > max_cell_vec_change_ratio:
+ if np.max(cur_cell_mag / initial_cell_mag) > max_cell_vec_change_ratio:
print("SD2: i {} bad lattice constant".format(i_minim))
sys.stdout.flush()
- return_stat="failed"
+ return_stat = "failed"
break
config_minim.set_positions(x)
if exception_if_invalid_config is not None:
exception_if_invalid_config(config_minim)
- grad_f = - config_minim.get_forces()
+ grad_f = -config_minim.get_forces()
E = config_minim.get_potential_energy()
done = converged(i_minim)
- try: # ExpCellFilter
+ try: # ExpCellFilter
traj.append(config_minim.atoms.copy())
except:
traj.append(config_minim.copy())
if done:
- print(log_prefix,"SD2: i {} E {} {} {}".format(i_minim, E, config_minim.log_message, done))
+ print(
+ log_prefix,
+ "SD2: i {} E {} {} {}".format(
+ i_minim, E, config_minim.log_message, done
+ ),
+ )
sys.stdout.flush()
- return_stat="converged"
+ return_stat = "converged"
break
if i_minim == 0:
alpha = 1.0e-4
else:
- alpha_num = np.sum((x-x_old)*(grad_f-grad_f_old))
+ alpha_num = np.sum((x - x_old) * (grad_f - grad_f_old))
if alpha_num < 0.0:
alpha = 1.0e-2
else:
- alpha = alpha_num / np.sum((grad_f-grad_f_old)**2)
-
- print(log_prefix,"SD2: i {} E {} {} alpha {} {}".format(i_minim, E, config_minim.log_message, alpha, done))
+ alpha = alpha_num / np.sum((grad_f - grad_f_old) ** 2)
+
+ print(
+ log_prefix,
+ "SD2: i {} E {} {} alpha {} {}".format(
+ i_minim, E, config_minim.log_message, alpha, done
+ ),
+ )
sys.stdout.flush()
x_old = x.copy()
grad_f_old = grad_f.copy()
- x -= alpha*grad_f
+ x -= alpha * grad_f
return (traj, return_stat)
+
def f_conv_crit_sq(forces):
- return (forces**2).sum(axis=1).max()
+ return (forces ** 2).sum(axis=1).max()
+
+
def s_conv_crit_sq(stress):
- return (stress**2).max()
+ return (stress ** 2).max()
+
def sd2_converged(minim_ind, atoms, fmax, smax=None):
forces = atoms.get_forces()
if isinstance(atoms, ExpCellFilter):
- fmax_sq = f_conv_crit_sq(forces[:len(atoms)-3])
- smax_sq = s_conv_crit_sq(forces[len(atoms)-3:])
+ fmax_sq = f_conv_crit_sq(forces[: len(atoms) - 3])
+ smax_sq = s_conv_crit_sq(forces[len(atoms) - 3 :])
if smax is None:
smax = fmax
atoms.log_message = "f {} s {} ".format(np.sqrt(fmax_sq), np.sqrt(smax_sq))
- f_conv = (fmax_sq < fmax**2 and smax_sq < smax**2)
+ f_conv = fmax_sq < fmax ** 2 and smax_sq < smax ** 2
else:
fmax_sq = f_conv_crit_sq(forces)
atoms.log_message = "f {} ".format(np.sqrt(fmax_sq))
- f_conv = fmax_sq < fmax**2
+ f_conv = fmax_sq < fmax ** 2
return f_conv
-def relax_config(atoms, relax_pos, relax_cell, tol=1e-3, method='lbfgs', max_steps=200, save_traj=False, constant_volume=False,
- refine_symmetry_tol=None, keep_symmetry=False, strain_mask = None, config_label=None, from_base_model=False, save_config=False,
- try_restart=False, fix_cell_dependence=False, applied_P=0.0, hydrostatic_strain=False, **kwargs):
+def relax_config(
+ atoms,
+ relax_pos,
+ relax_cell,
+ tol=1e-3,
+ method="lbfgs",
+ max_steps=200,
+ save_traj=False,
+ constant_volume=False,
+ refine_symmetry_tol=None,
+ keep_symmetry=False,
+ strain_mask=None,
+ config_label=None,
+ from_base_model=False,
+ save_config=False,
+ try_restart=False,
+ fix_cell_dependence=False,
+ applied_P=0.0,
+ hydrostatic_strain=False,
+ **kwargs,
+):
# get from base model if requested
import model
if config_label is not None:
- save_file = run_root+'-'+config_label+'-relaxed.xyz'
- traj_file = run_root+'-'+config_label+'-traj.xyz'
+ save_file = run_root + "-" + config_label + "-relaxed.xyz"
+ traj_file = run_root + "-" + config_label + "-traj.xyz"
else:
save_file = None
traj_file = None
@@ -149,14 +198,14 @@ def relax_config(atoms, relax_pos, relax_cell, tol=1e-3, method='lbfgs', max_ste
if try_restart:
# try from saved final config
try:
- atoms = read(save_file, format='extxyz')
+ atoms = read(save_file, format="extxyz")
print("relax_config read config from final file", save_file)
return atoms
except:
pass
# try from last config in traj file
try:
- atoms_in = read(traj_file, -1, format='extxyz')
+ atoms_in = read(traj_file, -1, format="extxyz")
# set positions from atoms_in rescaling to match current cell
saved_cell = atoms.get_cell().copy()
atoms.set_cell(atoms_in.get_cell())
@@ -168,19 +217,26 @@ def relax_config(atoms, relax_pos, relax_cell, tol=1e-3, method='lbfgs', max_ste
else:
if from_base_model:
if config_label is None:
- raise ValueError('from_base_model is set but no config_label provided')
+ raise ValueError("from_base_model is set but no config_label provided")
try:
- base_run_file = os.path.join('..',base_run_root,base_run_root+'-'+config_label+'-relaxed.xyz')
- atoms_in = read(base_run_file, format='extxyz')
+ base_run_file = os.path.join(
+ "..",
+ base_run_root,
+ base_run_root + "-" + config_label + "-relaxed.xyz",
+ )
+ atoms_in = read(base_run_file, format="extxyz")
# set positions from atoms_in rescaling to match current cell
saved_cell = atoms.get_cell().copy()
atoms.set_cell(atoms_in.get_cell())
atoms.set_positions(atoms_in.get_positions())
atoms.set_cell(saved_cell, scale_atoms=True)
- print("relax_config read config from base model ",base_run_file)
+ print("relax_config read config from base model ", base_run_file)
except:
try:
- print("relax_config failed to read base run config from ",base_run_root+'-'+config_label+'-relaxed.xyz')
+ print(
+ "relax_config failed to read base run config from ",
+ base_run_root + "-" + config_label + "-relaxed.xyz",
+ )
except:
print("relax_config failed to determined base_run_root")
@@ -200,17 +256,28 @@ def relax_config(atoms, relax_pos, relax_cell, tol=1e-3, method='lbfgs', max_ste
if fix_cell_dependence and hasattr(model, "fix_cell_dependence"):
model.fix_cell_dependence(atoms)
- if method == 'lbfgs' or method == 'sd2':
- if 'move_mask' in atoms.arrays:
- atoms.set_constraint(FixAtoms(np.where(atoms.arrays['move_mask'] == 0)[0]))
+ if method == "lbfgs" or method == "sd2":
+ if "move_mask" in atoms.arrays:
+ atoms.set_constraint(FixAtoms(np.where(atoms.arrays["move_mask"] == 0)[0]))
if relax_cell:
- atoms_cell = ExpCellFilter(atoms, mask=strain_mask, constant_volume=constant_volume,
- scalar_pressure=applied_P*GPa, hydrostatic_strain=hydrostatic_strain)
+ atoms_cell = ExpCellFilter(
+ atoms,
+ mask=strain_mask,
+ constant_volume=constant_volume,
+ scalar_pressure=applied_P * GPa,
+ hydrostatic_strain=hydrostatic_strain,
+ )
else:
atoms_cell = atoms
atoms.info["n_minim_iter"] = 0
- if method == 'sd2':
- (traj, run_stat) = sd2_run("", atoms_cell, tol, lambda i : sd2_converged(i, atoms_cell, tol), max_steps)
+ if method == "sd2":
+ (traj, run_stat) = sd2_run(
+ "",
+ atoms_cell,
+ tol,
+ lambda i: sd2_converged(i, atoms_cell, tol),
+ max_steps,
+ )
if save_traj is not None:
write(traj_file, traj)
else:
@@ -218,22 +285,24 @@ def relax_config(atoms, relax_pos, relax_cell, tol=1e-3, method='lbfgs', max_ste
opt = PreconLBFGS(atoms_cell, use_armijo=False, **kwargs)
if save_traj:
traj = open(traj_file, "w")
+
def write_trajectory():
if "n_minim_iter" in atoms.info:
atoms.info["n_minim_iter"] += 1
- write(traj, atoms, format='extxyz')
+ write(traj, atoms, format="extxyz")
traj.flush()
+
opt.attach(write_trajectory)
- elif method == 'cg_n':
- raise ValueError('minim method cg_n not supported in new python3 quippy')
+ elif method == "cg_n":
+ raise ValueError("minim method cg_n not supported in new python3 quippy")
# if strain_mask is not None:
- # raise(Exception("strain_mask not supported with method='cg_n'"))
+ # raise(Exception("strain_mask not supported with method='cg_n'"))
# atoms.info['Minim_Constant_Volume'] = constant_volume
# opt = Minim(atoms, relax_positions=relax_pos, relax_cell=relax_cell, method='cg_n')
else:
- raise ValueError('unknown method %s!' % method)
+ raise ValueError("unknown method %s!" % method)
- if method != 'sd2':
+ if method != "sd2":
opt.run(tol, max_steps)
if refine_symmetry_tol is not None:
@@ -250,8 +319,8 @@ def write_trajectory():
if save_config:
if config_label is None:
- raise ValueError('save_config is set but no config_label provided')
- write(save_file, atoms, format='extxyz')
+ raise ValueError("save_config is set but no config_label provided")
+ write(save_file, atoms, format="extxyz")
if keep_symmetry:
for (i_c, c) in enumerate(atoms.constraints):
@@ -261,15 +330,18 @@ def write_trajectory():
# undo fix cell dependence
if fix_cell_dependence and hasattr(model, "fix_cell_dependence"):
- sys.stderr.write("WARNING: relax_config undoing fix_cell_dependence, whether or not it was set before it started\n")
+ sys.stderr.write(
+ "WARNING: relax_config undoing fix_cell_dependence, whether or not it was set before it started\n"
+ )
model.fix_cell_dependence()
return atoms
+
def evaluate_atoms_list(atoms_list, do_energy=True, do_forces=True, do_stress=True):
results = []
for (at_i, at) in enumerate(atoms_list):
- print("evaluation ",at_i,"/",len(atoms_list))
+ print("evaluation ", at_i, "/", len(atoms_list))
evaluate(at, do_energy, do_forces, do_stress)
result = {}
if do_energy:
@@ -281,14 +353,20 @@ def evaluate_atoms_list(atoms_list, do_energy=True, do_forces=True, do_stress=Tr
results.append(result)
return results
-def evaluate_file(file, do_energy=True, do_forces=True, do_stress=True, do_predictive_error=None):
+
+def evaluate_file(
+ file, do_energy=True, do_forces=True, do_stress=True, do_predictive_error=None
+):
al = read(file, index=":")
for a in al:
evaluate(a, do_energy, do_forces, do_stress, do_predictive_error)
- write(model_test_root()+"_"+name_of_file(file), al)
+ write(model_test_root() + "_" + name_of_file(file), al)
return al
-def evaluate(atoms, do_energy=True, do_forces=True, do_stress=True, do_predictive_error=None):
+
+def evaluate(
+ atoms, do_energy=True, do_forces=True, do_stress=True, do_predictive_error=None
+):
import model
if do_predictive_error:
@@ -296,10 +374,14 @@ def evaluate(atoms, do_energy=True, do_forces=True, do_stress=True, do_predictiv
orig_calc_args = model.calculator.get_calc_args()
new_calc_args = orig_calc_args.copy()
new_calc_args["local_gap_variance"] = "predictive_error"
- if isinstance(do_predictive_error,float):
+ if isinstance(do_predictive_error, float):
new_calc_args["gap_variance_regularisation"] = do_predictive_error
- elif not isinstance(do_predictive_error,bool):
- raise ValueError("do_predictive_error not float or bool {}".format(str(do_predictive_error)))
+ elif not isinstance(do_predictive_error, bool):
+ raise ValueError(
+ "do_predictive_error not float or bool {}".format(
+ str(do_predictive_error)
+ )
+ )
model.calculator.set_calc_args(new_calc_args)
except AttributeError:
pass
@@ -318,14 +400,13 @@ def evaluate(atoms, do_energy=True, do_forces=True, do_stress=True, do_predictiv
if do_energy:
energy = atoms.get_potential_energy()
- spc = SinglePointCalculator(atoms,
- energy=energy,
- forces=forces,
- stress=stress)
+ spc = SinglePointCalculator(atoms, energy=energy, forces=forces, stress=stress)
atoms.set_calculator(spc)
if do_predictive_error:
- atoms.arrays["predictive_error"] = np.sqrt(model.calculator.results["predictive_error"])
+ atoms.arrays["predictive_error"] = np.sqrt(
+ model.calculator.results["predictive_error"]
+ )
try:
model.calculator.set_calc_args(orig_calc_args)
except AttributeError:
@@ -333,25 +414,58 @@ def evaluate(atoms, do_energy=True, do_forces=True, do_stress=True, do_predictiv
return atoms
-def robust_minim_cell_pos(atoms, final_tol, label="robust_minim", max_sd2_iter=50, sd2_tol=1.0, max_lbfgs_iter=20, max_n_lbfgs=50, keep_symmetry=True):
+
+def robust_minim_cell_pos(
+ atoms,
+ final_tol,
+ label="robust_minim",
+ max_sd2_iter=50,
+ sd2_tol=1.0,
+ max_lbfgs_iter=20,
+ max_n_lbfgs=50,
+ keep_symmetry=True,
+):
import model
# do each minim at fixed cell-dependent model params (e.g. k-point mesh)
if hasattr(model, "fix_cell_dependence"):
model.fix_cell_dependence(atoms)
- relax_config(atoms, relax_pos=True, relax_cell=True, tol=sd2_tol, max_steps=max_sd2_iter,
- save_traj=True, method='sd2', keep_symmetry=keep_symmetry, config_label=label )
-
- done=False
+ relax_config(
+ atoms,
+ relax_pos=True,
+ relax_cell=True,
+ tol=sd2_tol,
+ max_steps=max_sd2_iter,
+ save_traj=True,
+ method="sd2",
+ keep_symmetry=keep_symmetry,
+ config_label=label,
+ )
+
+ done = False
i_iter = 0
while not done and i_iter < max_n_lbfgs:
try:
if hasattr(model, "fix_cell_dependence"):
model.fix_cell_dependence(atoms)
- relax_config(atoms, relax_pos=True, relax_cell=True, tol=final_tol, max_steps=max_lbfgs_iter,
- save_traj=True, method='lbfgs', keep_symmetry=keep_symmetry, config_label=f'{label}.{i_iter}' )
- done = (atoms.info["n_minim_iter"] < max_lbfgs_iter)
- print("robust_minim relax_configs LBFGS finished in ",atoms.info["n_minim_iter"],"iters, max", max_lbfgs_iter)
+ relax_config(
+ atoms,
+ relax_pos=True,
+ relax_cell=True,
+ tol=final_tol,
+ max_steps=max_lbfgs_iter,
+ save_traj=True,
+ method="lbfgs",
+ keep_symmetry=keep_symmetry,
+ config_label=f"{label}.{i_iter}",
+ )
+ done = atoms.info["n_minim_iter"] < max_lbfgs_iter
+ print(
+ "robust_minim relax_configs LBFGS finished in ",
+ atoms.info["n_minim_iter"],
+ "iters, max",
+ max_lbfgs_iter,
+ )
except:
print("robust_minim relax_configs LBFGS failed, trying again")
i_iter += 1
@@ -361,55 +475,78 @@ def robust_minim_cell_pos(atoms, final_tol, label="robust_minim", max_sd2_iter=5
if hasattr(model, "fix_cell_dependence"):
model.fix_cell_dependence()
+
def get_relaxed_bulk(bulk_struct_test, model_name=None):
- bulk_model_test_relaxed = os.path.join('..',model_test_root(u_model_name=model_name, u_test_name=bulk_struct_test)+"-relaxed.xyz")
+ bulk_model_test_relaxed = os.path.join(
+ "..",
+ model_test_root(u_model_name=model_name, u_test_name=bulk_struct_test)
+ + "-relaxed.xyz",
+ )
try:
- bulk = read(bulk_model_test_relaxed, format='extxyz')
+ bulk = read(bulk_model_test_relaxed, format="extxyz")
except:
- sys.stderr.write("Failed to read relaxed bulk '{}', perhaps bulk test hasn't been run yet\n".format(bulk_model_test_relaxed))
+ sys.stderr.write(
+ "Failed to read relaxed bulk '{}', perhaps bulk test hasn't been run yet\n".format(
+ bulk_model_test_relaxed
+ )
+ )
sys.exit(1)
return bulk
+
def rescale_to_relaxed_bulk(supercell):
# read bulk
- bulk = get_relaxed_bulk(supercell.info['bulk_struct_test'])
+ bulk = get_relaxed_bulk(supercell.info["bulk_struct_test"])
# rescale supercell cell
try:
- supercell_a1_lattice = supercell.info['supercell_a1_in_bulk_lattice_coords']
+ supercell_a1_lattice = supercell.info["supercell_a1_in_bulk_lattice_coords"]
bulk_lattice = bulk.get_cell()
- supercell_a1_in_bulk = np.dot(supercell_a1_lattice,bulk_lattice)
- cell_ratio = np.linalg.norm(supercell_a1_in_bulk) / np.linalg.norm(supercell.get_cell()[0,:])
- if 'supercell_a2_in_lattice_coords' in supercell.info:
- raise ValueError('anisotropic rescaling of supercellace cell not implemented')
- if 'supercell_a3_in_lattice_coords' in supercell.info:
- raise ValueError('anisotropic rescaling of supercellace cell not implemented')
+ supercell_a1_in_bulk = np.dot(supercell_a1_lattice, bulk_lattice)
+ cell_ratio = np.linalg.norm(supercell_a1_in_bulk) / np.linalg.norm(
+ supercell.get_cell()[0, :]
+ )
+ if "supercell_a2_in_lattice_coords" in supercell.info:
+ raise ValueError(
+ "anisotropic rescaling of supercellace cell not implemented"
+ )
+ if "supercell_a3_in_lattice_coords" in supercell.info:
+ raise ValueError(
+ "anisotropic rescaling of supercellace cell not implemented"
+ )
except:
- print("'supercell_a1_in_bulk_lattice_coords' is not in supercell.info (imported from surface.xyz). Assuming a cell_ratio of 1.0")
+ print(
+ "'supercell_a1_in_bulk_lattice_coords' is not in supercell.info (imported from surface.xyz). Assuming a cell_ratio of 1.0"
+ )
cell_ratio = 1.0
- supercell.set_cell(supercell.get_cell()*cell_ratio, scale_atoms=True)
+ supercell.set_cell(supercell.get_cell() * cell_ratio, scale_atoms=True)
return bulk
-def phonons(model,bulk,supercell,dx,mesh=None,points=None,n_points=50):
+
+def phonons(model, bulk, supercell, dx, mesh=None, points=None, n_points=50):
import model
- unitcell = PhonopyAtoms(symbols=bulk.get_chemical_symbols(),
- cell=bulk.get_cell(),
- scaled_positions=bulk.get_scaled_positions())
- phonon = Phonopy(unitcell,supercell)
+ unitcell = PhonopyAtoms(
+ symbols=bulk.get_chemical_symbols(),
+ cell=bulk.get_cell(),
+ scaled_positions=bulk.get_scaled_positions(),
+ )
+ phonon = Phonopy(unitcell, supercell)
phonon.generate_displacements(distance=dx)
sets_of_forces = []
for s in phonon.get_supercells_with_displacements():
- at = Atoms(cell=s.get_cell(),
- symbols=s.get_chemical_symbols(),
- scaled_positions=s.get_scaled_positions(),
- pbc=3*[True])
+ at = Atoms(
+ cell=s.get_cell(),
+ symbols=s.get_chemical_symbols(),
+ scaled_positions=s.get_scaled_positions(),
+ pbc=3 * [True],
+ )
at.set_calculator(model.calculator)
sets_of_forces.append(at.get_forces())
@@ -419,7 +556,7 @@ def phonons(model,bulk,supercell,dx,mesh=None,points=None,n_points=50):
properties = {}
if mesh is not None:
- phonon.set_mesh(mesh,is_gamma_center=True)
+ phonon.set_mesh(mesh, is_gamma_center=True)
qpoints, weights, frequencies, eigvecs = phonon.get_mesh()
properties["frequencies"] = frequencies.tolist()
@@ -427,19 +564,24 @@ def phonons(model,bulk,supercell,dx,mesh=None,points=None,n_points=50):
if points is not None:
bands = []
- for i in range(len(points)-1):
+ for i in range(len(points) - 1):
band = []
- for r in np.linspace(0,1,n_points):
- band.append(points[i]+(points[i+1]-points[i])*r)
+ for r in np.linspace(0, 1, n_points):
+ band.append(points[i] + (points[i + 1] - points[i]) * r)
bands.append(band)
- phonon.set_band_structure(bands,is_eigenvectors=True,is_band_connection=False)
- band_q_points, band_distances, band_frequencies, band_eigvecs = phonon.get_band_structure()
+ phonon.set_band_structure(bands, is_eigenvectors=True, is_band_connection=False)
+ (
+ band_q_points,
+ band_distances,
+ band_frequencies,
+ band_eigvecs,
+ ) = phonon.get_band_structure()
band_distance_max = np.max(band_distances)
band_distances = [(_b / band_distance_max).tolist() for _b in band_distances]
- band_frequencies = [ _b.tolist() for _b in band_frequencies ]
+ band_frequencies = [_b.tolist() for _b in band_frequencies]
properties["band_q_points"] = band_q_points
properties["band_distances"] = band_distances
diff --git a/share/utilities_old.py b/testingframework/share/utilities_old.py
similarity index 52%
rename from share/utilities_old.py
rename to testingframework/share/utilities_old.py
index 463945378..26e9cd531 100644
--- a/share/utilities_old.py
+++ b/testingframework/share/utilities_old.py
@@ -1,10 +1,15 @@
import os
-#import StringIO
+
+# import StringIO
from ase.io import read, write
from ase.calculators.singlepoint import SinglePointCalculator
from ase.optimize import FIRE
-from ase.constraints import UnitCellFilter, voigt_6_to_full_3x3_stress, full_3x3_to_voigt_6_stress
+from ase.constraints import (
+ UnitCellFilter,
+ voigt_6_to_full_3x3_stress,
+ full_3x3_to_voigt_6_stress,
+)
try:
from phonopy import Phonopy
@@ -14,48 +19,58 @@
from ase import Atoms
import numpy as np
-#from quippy.io import AtomsWriter
-#from quippy.cinoutput import CInOutput,OUTPUT
-#from quippy.atoms import Atoms
+# from quippy.io import AtomsWriter
+# from quippy.cinoutput import CInOutput,OUTPUT
+# from quippy.atoms import Atoms
+
def read_bulk_reference(model_name, test_name):
- log_file = 'model-{0}-test-{1}.txt'.format(model_name, test_name)
- log_lines = open(os.path.join('..', log_file), 'r').readlines()
- start_idx = log_lines.index('relaxed bulk\n')
- n_atoms = int(log_lines[start_idx+1])
- xyz_lines = log_lines[start_idx+1:start_idx+n_atoms+3]
- fh = StringIO.StringIO(''.join(xyz_lines))
- bulk = read(fh, format='extxyz')
+ log_file = "model-{0}-test-{1}.txt".format(model_name, test_name)
+ log_lines = open(os.path.join("..", log_file), "r").readlines()
+ start_idx = log_lines.index("relaxed bulk\n")
+ n_atoms = int(log_lines[start_idx + 1])
+ xyz_lines = log_lines[start_idx + 1 : start_idx + n_atoms + 3]
+ fh = StringIO.StringIO("".join(xyz_lines))
+ bulk = read(fh, format="extxyz")
return bulk
-def relax_atoms(atoms, tol=1e-3, method='lbfgs_precon', max_steps=1000, traj_file=None, **kwargs):
+
+def relax_atoms(
+ atoms, tol=1e-3, method="lbfgs_precon", max_steps=1000, traj_file=None, **kwargs
+):
import model
+
atoms.set_calculator(model.calculator)
- if hasattr(model, 'Optimizer'):
- method = 'model_optimizer'
+ if hasattr(model, "Optimizer"):
+ method = "model_optimizer"
opt = model.Optimizer(atoms)
opt.run(tol, max_steps)
- elif method.startswith('lbfgs') or method == 'fire' or method == 'cg_n':
- if method == 'lbfgs_ASE':
+ elif method.startswith("lbfgs") or method == "fire" or method == "cg_n":
+ if method == "lbfgs_ASE":
from ase.optimize import LBFGS
+
opt = LBFGS(atoms, **kwargs)
- elif method == 'cg_n':
+ elif method == "cg_n":
from quippy import Minim
- opt = Minim(atoms, relax_positions=True, relax_cell=False, method='cg_n')
+
+ opt = Minim(atoms, relax_positions=True, relax_cell=False, method="cg_n")
else:
from ase.optimize.precon.precon import Exp
from ase.optimize.precon.lbfgs import PreconLBFGS
+
precon = None
- if method.endswith('precon'):
+ if method.endswith("precon"):
precon = Exp(3.0, recalc_mu=True)
- if method.startswith('lbfgs'):
+ if method.startswith("lbfgs"):
opt = PreconLBFGS(atoms, precon=precon, **kwargs)
else:
opt = FIRE(atoms, **kwargs)
- if traj_file is not None and method != 'cg_n':
- traj = open(traj_file, 'w')
+ if traj_file is not None and method != "cg_n":
+ traj = open(traj_file, "w")
+
def write_trajectory():
- write(traj, atoms, format='extxyz')
+ write(traj, atoms, format="extxyz")
+
opt.attach(write_trajectory)
opt.run(tol, max_steps)
try:
@@ -63,42 +78,72 @@ def write_trajectory():
except:
pass
else:
- raise ValueError('unknown method %s!' % method)
+ raise ValueError("unknown method %s!" % method)
return atoms
-#import symmetrize
+
+# import symmetrize
from ase.calculators.calculator import Calculator
+
+
class SymmetrizedCalculator(Calculator):
- implemented_properties = ['energy','forces','stress']
- def __init__(self, calc, atoms, *args, **kwargs):
- Calculator.__init__(self, *args, **kwargs)
- self.calc = calc
- (self.rotations, self.translations, self.symm_map) = symmetrize.prep(atoms, symprec=0.01)
+ implemented_properties = ["energy", "forces", "stress"]
- def calculate(self, atoms, properties, system_changes):
+ def __init__(self, calc, atoms, *args, **kwargs):
+ Calculator.__init__(self, *args, **kwargs)
+ self.calc = calc
+ (self.rotations, self.translations, self.symm_map) = symmetrize.prep(
+ atoms, symprec=0.01
+ )
+
+ def calculate(self, atoms, properties, system_changes):
Calculator.calculate(self, atoms, properties, system_changes)
if system_changes:
self.results = {}
- if 'energy' in properties and 'energy' not in self.results:
- self.results['energy'] = self.calc.get_potential_energy(atoms)
- if 'forces' in properties and 'forces' not in self.results:
+ if "energy" in properties and "energy" not in self.results:
+ self.results["energy"] = self.calc.get_potential_energy(atoms)
+ if "forces" in properties and "forces" not in self.results:
raw_forces = self.calc.get_forces(atoms)
- self.results['forces'] = symmetrize.forces(atoms.get_cell(), atoms.get_reciprocal_cell().T, raw_forces,
- self.rotations, self.translations, self.symm_map)
- if 'stress' in properties and 'stress' not in self.results:
+ self.results["forces"] = symmetrize.forces(
+ atoms.get_cell(),
+ atoms.get_reciprocal_cell().T,
+ raw_forces,
+ self.rotations,
+ self.translations,
+ self.symm_map,
+ )
+ if "stress" in properties and "stress" not in self.results:
raw_stress = self.calc.get_stress(atoms)
- if len(raw_stress) == 6: # Voigt
+ if len(raw_stress) == 6: # Voigt
raw_stress = voigt_6_to_full_3x3_stress(raw_stress)
- symmetrized_stress = symmetrize.stress(atoms.get_cell(), atoms.get_reciprocal_cell().T, raw_stress, self.rotations)
- self.results['stress'] = full_3x3_to_voigt_6_stress(symmetrized_stress)
-
-
-def relax_atoms_cell(atoms, tol=1e-3, stol=None, method='lbfgs_precon', max_steps=100, mask=None, traj_file=None,
- hydrostatic_strain=False, constant_volume=False, precon_apply_positions=True,
- precon_apply_cell=True, symmetrize = False, **kwargs):
+ symmetrized_stress = symmetrize.stress(
+ atoms.get_cell(),
+ atoms.get_reciprocal_cell().T,
+ raw_stress,
+ self.rotations,
+ )
+ self.results["stress"] = full_3x3_to_voigt_6_stress(symmetrized_stress)
+
+
+def relax_atoms_cell(
+ atoms,
+ tol=1e-3,
+ stol=None,
+ method="lbfgs_precon",
+ max_steps=100,
+ mask=None,
+ traj_file=None,
+ hydrostatic_strain=False,
+ constant_volume=False,
+ precon_apply_positions=True,
+ precon_apply_cell=True,
+ symmetrize=False,
+ **kwargs
+):
import model
- #print "relax_atoms_cell using method",method
+
+ # print "relax_atoms_cell using method",method
if symmetrize:
atoms.set_calculator(SymmetrizedCalculator(model.calculator, atoms))
else:
@@ -106,65 +151,76 @@ def relax_atoms_cell(atoms, tol=1e-3, stol=None, method='lbfgs_precon', max_step
## print "relax_atoms_cell initial e ", atoms.get_potential_energy()
## print "relax_atoms_cell initial f ", atoms.get_forces()
## print "relax_atoms_cell initial s ", atoms.get_stress()
- if hasattr(model, 'Optimizer'):
- method = 'model_optimizer'
- if method != 'cg_n':
- atoms = UnitCellFilter(atoms, mask=mask,
- hydrostatic_strain=hydrostatic_strain,
- constant_volume=constant_volume)
- if method.startswith('lbfgs') or method == 'fire' or method == 'cg_n':
- if method == 'cg_n':
+ if hasattr(model, "Optimizer"):
+ method = "model_optimizer"
+ if method != "cg_n":
+ atoms = UnitCellFilter(
+ atoms,
+ mask=mask,
+ hydrostatic_strain=hydrostatic_strain,
+ constant_volume=constant_volume,
+ )
+ if method.startswith("lbfgs") or method == "fire" or method == "cg_n":
+ if method == "cg_n":
from quippy import Minim, fzeros
- atoms.info['Minim_Hydrostatic_Strain'] = hydrostatic_strain
- atoms.info['Minim_Constant_Volume'] = constant_volume
+
+ atoms.info["Minim_Hydrostatic_Strain"] = hydrostatic_strain
+ atoms.info["Minim_Constant_Volume"] = constant_volume
if mask is not None:
- atoms.info['Minim_Lattice_Fix'] = fzeros( (3,3) )
- if not mask[0]:
- atoms.info['Minim_Lattice_Fix'][1,1] = 1.0
- if not mask[1]:
- atoms.info['Minim_Lattice_Fix'][2,2] = 1.0
- if not mask[2]:
- atoms.info['Minim_Lattice_Fix'][3,3] = 1.0
- if not mask[3]:
- atoms.info['Minim_Lattice_Fix'][1,2] = 1.0
- atoms.info['Minim_Lattice_Fix'][2,1] = 1.0
- if not mask[4]:
- atoms.info['Minim_Lattice_Fix'][2,3] = 1.0
- atoms.info['Minim_Lattice_Fix'][3,2] = 1.0
- if not mask[5]:
- atoms.info['Minim_Lattice_Fix'][1,3] = 1.0
- atoms.info['Minim_Lattice_Fix'][3,1] = 1.0
- opt = Minim(atoms, relax_positions=True, relax_cell=True, method='cg_n')
+ atoms.info["Minim_Lattice_Fix"] = fzeros((3, 3))
+ if not mask[0]:
+ atoms.info["Minim_Lattice_Fix"][1, 1] = 1.0
+ if not mask[1]:
+ atoms.info["Minim_Lattice_Fix"][2, 2] = 1.0
+ if not mask[2]:
+ atoms.info["Minim_Lattice_Fix"][3, 3] = 1.0
+ if not mask[3]:
+ atoms.info["Minim_Lattice_Fix"][1, 2] = 1.0
+ atoms.info["Minim_Lattice_Fix"][2, 1] = 1.0
+ if not mask[4]:
+ atoms.info["Minim_Lattice_Fix"][2, 3] = 1.0
+ atoms.info["Minim_Lattice_Fix"][3, 2] = 1.0
+ if not mask[5]:
+ atoms.info["Minim_Lattice_Fix"][1, 3] = 1.0
+ atoms.info["Minim_Lattice_Fix"][3, 1] = 1.0
+ opt = Minim(atoms, relax_positions=True, relax_cell=True, method="cg_n")
else:
from ase.optimize.precon.precon import Exp
from ase.optimize.precon.lbfgs import PreconLBFGS
+
precon = None
- if method.endswith('precon'):
- precon = Exp(3.0, apply_positions=precon_apply_positions,
- apply_cell=precon_apply_cell, recalc_mu=True)
- if method.startswith('lbfgs'):
+ if method.endswith("precon"):
+ precon = Exp(
+ 3.0,
+ apply_positions=precon_apply_positions,
+ apply_cell=precon_apply_cell,
+ recalc_mu=True,
+ )
+ if method.startswith("lbfgs"):
opt = PreconLBFGS(atoms, precon=precon, **kwargs)
else:
opt = FIRE(atoms, **kwargs)
if traj_file is not None:
- traj = open(traj_file, 'w')
+ traj = open(traj_file, "w")
+
def write_trajectory():
try:
- write(traj, atoms.atoms, format='extxyz')
+ write(traj, atoms.atoms, format="extxyz")
except:
- write(traj, atoms, format='extxyz')
+ write(traj, atoms, format="extxyz")
+
opt.attach(write_trajectory)
- if method != 'cg_n' and isinstance(opt, PreconLBFGS):
+ if method != "cg_n" and isinstance(opt, PreconLBFGS):
opt.run(tol, max_steps, smax=stol)
else:
opt.run(tol, max_steps)
if traj_file is not None:
traj.close()
- elif method == 'model_optimizer':
+ elif method == "model_optimizer":
opt = model.Optimizer(atoms.atoms)
opt.run()
else:
- raise ValueError('unknown method %s!' % method)
+ raise ValueError("unknown method %s!" % method)
if isinstance(atoms, UnitCellFilter):
return atoms.atoms
@@ -219,8 +275,10 @@ def write_trajectory():
# atoms.set_cell(at.get_cell())
# return atoms
+
def evaluate(atoms, do_energy=True, do_forces=True, do_stress=True):
import model
+
atoms.set_calculator(model.calculator)
energy = None
@@ -235,30 +293,32 @@ def evaluate(atoms, do_energy=True, do_forces=True, do_stress=True):
if do_stress:
stress = atoms.get_stress()
- spc = SinglePointCalculator(atoms,
- energy=energy,
- forces=forces,
- stress=stress)
+ spc = SinglePointCalculator(atoms, energy=energy, forces=forces, stress=stress)
atoms.set_calculator(spc)
return atoms
-def phonons(model,bulk,supercell,dx,mesh=None,points=None,n_points=50):
+
+def phonons(model, bulk, supercell, dx, mesh=None, points=None, n_points=50):
import model
- unitcell = PhonopyAtoms(symbols=bulk.get_chemical_symbols(),
- cell=bulk.get_cell(),
- scaled_positions=bulk.get_scaled_positions())
- phonon = Phonopy(unitcell,supercell)
+ unitcell = PhonopyAtoms(
+ symbols=bulk.get_chemical_symbols(),
+ cell=bulk.get_cell(),
+ scaled_positions=bulk.get_scaled_positions(),
+ )
+ phonon = Phonopy(unitcell, supercell)
phonon.generate_displacements(distance=dx)
sets_of_forces = []
for s in phonon.get_supercells_with_displacements():
- at = Atoms(cell=s.get_cell(),
- symbols=s.get_chemical_symbols(),
- scaled_positions=s.get_scaled_positions(),
- pbc=3*[True])
+ at = Atoms(
+ cell=s.get_cell(),
+ symbols=s.get_chemical_symbols(),
+ scaled_positions=s.get_scaled_positions(),
+ pbc=3 * [True],
+ )
at.set_calculator(model.calculator)
sets_of_forces.append(at.get_forces())
@@ -268,7 +328,7 @@ def phonons(model,bulk,supercell,dx,mesh=None,points=None,n_points=50):
properties = {}
if mesh is not None:
- phonon.set_mesh(mesh,is_gamma_center=True)
+ phonon.set_mesh(mesh, is_gamma_center=True)
qpoints, weights, frequencies, eigvecs = phonon.get_mesh()
properties["frequencies"] = frequencies.tolist()
@@ -276,19 +336,24 @@ def phonons(model,bulk,supercell,dx,mesh=None,points=None,n_points=50):
if points is not None:
bands = []
- for i in range(len(points)-1):
+ for i in range(len(points) - 1):
band = []
- for r in np.linspace(0,1,n_points):
- band.append(points[i]+(points[i+1]-points[i])*r)
+ for r in np.linspace(0, 1, n_points):
+ band.append(points[i] + (points[i + 1] - points[i]) * r)
bands.append(band)
- phonon.set_band_structure(bands,is_eigenvectors=True,is_band_connection=False)
- band_q_points, band_distances, band_frequencies, band_eigvecs = phonon.get_band_structure()
+ phonon.set_band_structure(bands, is_eigenvectors=True, is_band_connection=False)
+ (
+ band_q_points,
+ band_distances,
+ band_frequencies,
+ band_eigvecs,
+ ) = phonon.get_band_structure()
band_distance_max = np.max(band_distances)
band_distances = [(_b / band_distance_max).tolist() for _b in band_distances]
- band_frequencies = [ _b.tolist() for _b in band_frequencies ]
+ band_frequencies = [_b.tolist() for _b in band_frequencies]
properties["band_q_points"] = band_q_points
properties["band_distances"] = band_distances
diff --git a/testingframework/share/vacancy.py b/testingframework/share/vacancy.py
new file mode 100644
index 000000000..dcf7ebc11
--- /dev/null
+++ b/testingframework/share/vacancy.py
@@ -0,0 +1,216 @@
+import ase.io, os.path
+from testingframework.share.utilities import (
+ relax_config,
+ run_root,
+ rescale_to_relaxed_bulk,
+ evaluate,
+)
+from ase.neighborlist import NeighborList
+import ase.build
+import numpy as np
+import spglib
+
+
+def do_one_vacancy(
+ bulk_supercell,
+ bulk_supercell_pe,
+ vac_i,
+ relax_radial=0.0,
+ relax_symm_break=0.0,
+ nn_cutoff=0.0,
+ tol=1.0e-2,
+):
+
+ # do unrelaxed (without perturbations)
+ vac = bulk_supercell.copy()
+ del vac[vac_i]
+
+ label = "ind_%d_Z_%d" % (vac_i, bulk_supercell.get_atomic_numbers()[vac_i])
+ unrelaxed_filename = run_root + "-%s-unrelaxed.xyz" % label
+ ase.io.write(os.path.join("..", unrelaxed_filename), vac, format="extxyz")
+ evaluate(vac)
+ unrelaxed_vac_pe = vac.get_potential_energy()
+
+ # recreate with perturbations for relaxation
+ vac = bulk_supercell.copy()
+
+ if relax_radial != 0.0 or relax_symm_break != 0.0:
+ nl = NeighborList(
+ [nn_cutoff / 2.0] * len(bulk_supercell),
+ self_interaction=False,
+ bothways=True,
+ )
+ nl.update(bulk_supercell)
+ indices, offsets = nl.get_neighbors(vac_i)
+ offset_factor = relax_radial
+ for i, offset in zip(indices, offsets):
+ ri = vac.positions[vac_i] - (
+ vac.positions[i] + np.dot(offset, vac.get_cell())
+ )
+ vac.positions[i] += offset_factor * ri
+ offset_factor += relax_symm_break
+
+ del vac[vac_i]
+ vac_pos = vac.positions[vac_i]
+
+ vac = relax_config(
+ vac,
+ relax_pos=True,
+ relax_cell=False,
+ tol=tol,
+ save_traj=True,
+ config_label=label,
+ from_base_model=True,
+ save_config=True,
+ try_restart=True,
+ )
+ relaxed_filename = run_root + "-%s-relaxed.xyz" % label
+ ase.io.write(os.path.join("..", relaxed_filename), vac, format="extxyz")
+
+ # already has calculator from relax_configs
+ vac_pe = vac.get_potential_energy()
+ if len(set(bulk_supercell.get_atomic_numbers())) == 1:
+ Ebulk = float(len(vac)) / float(len(bulk_supercell)) * bulk_supercell_pe
+ else:
+ Ebulk = bulk_supercell_pe
+ Ef0 = unrelaxed_vac_pe - Ebulk
+ Ef = vac_pe - Ebulk
+ print("got vacancy", label, "cell energy", vac_pe, "n_atoms", len(vac))
+ print("got bulk energy", Ebulk, " (scaled to (N-1)/N if single component)")
+ return (
+ label,
+ unrelaxed_filename,
+ Ef0,
+ relaxed_filename,
+ Ef,
+ int(bulk_supercell.get_atomic_numbers()[vac_i]),
+ vac_pos,
+ )
+
+
+def do_all_vacancies(test_dir, nn_cutoff=0.0, tol=1.0e-2):
+ print("doing do_all_vacancies")
+ bulk_supercell = ase.io.read(
+ os.path.join(test_dir, "bulk_supercell.xyz"), format="extxyz"
+ )
+ print("got bulk_supercell ", len(bulk_supercell))
+
+ bulk = rescale_to_relaxed_bulk(bulk_supercell)
+ # relax bulk supercell positions in case it's only approximate (as it must be for different models), but stick
+ # to relaxed bulk's lattice constants as set by rescale_to_relaxed_bulk
+ bulk_supercell = relax_config(
+ bulk_supercell,
+ relax_pos=True,
+ relax_cell=False,
+ tol=tol,
+ save_traj=True,
+ config_label="rescaled_bulk",
+ from_base_model=True,
+ save_config=True,
+ )
+
+ ase.io.write(
+ os.path.join("..", run_root + "-rescaled-bulk.xyz"),
+ bulk_supercell,
+ format="extxyz",
+ )
+
+ print("got bulk primitive cell ", bulk.get_cell())
+ print("got rescaled bulk_supercell cell ", bulk_supercell.get_cell())
+
+ if bulk_supercell.info["vacancies"] == "inequivalent":
+ sym_data = spglib.get_symmetry_dataset(bulk_supercell, symprec=0.01)
+ prim_vacancy_list = np.unique(sym_data["equivalent_atoms"])
+ print("orig cell vacancy_list", prim_vacancy_list)
+ if "arb_supercell" in bulk_supercell.info:
+ print(
+ "making bulk supercell from",
+ bulk_supercell.info["arb_supercell"].reshape((3, 3)),
+ )
+ bulk_supersupercell = ase.build.make_supercell(
+ bulk_supercell, bulk_supercell.info["arb_supercell"].reshape((3, 3))
+ )
+ print(
+ "got supersupercell with ",
+ len(bulk_supersupercell),
+ "atoms, cell\n",
+ bulk_supersupercell.get_cell(),
+ )
+ vacancy_list = []
+ for i in prim_vacancy_list:
+ p = bulk_supercell.get_positions()[i]
+ dv = bulk_supersupercell.get_positions() - p
+ dv_scaled = np.dot(dv, bulk_supersupercell.get_reciprocal_cell().T)
+ dv -= np.dot(np.round(dv_scaled), bulk_supersupercell.get_cell())
+ i_closest = np.argmin(np.linalg.norm(dv, axis=1))
+ print(
+ "found closest in new cell",
+ i_closest,
+ "distance in orig cell lattice coords",
+ np.dot(
+ (bulk_supersupercell.get_positions()[i_closest] - p),
+ bulk_supercell.get_reciprocal_cell().T,
+ ),
+ )
+ vacancy_list.append(i_closest)
+ bulk_supersupercell.info.update(bulk_supercell.info)
+ bulk_supercell = bulk_supersupercell
+ else:
+ vacancy_list = prim_vacancy_list
+ print("final vacancy_list", vacancy_list)
+ else:
+ try:
+ vacancy_list = [int(i) for i in bulk_supercell.info["vacancies"]]
+ except:
+ vacancy_list = [int(bulk_supercell.info["vacancies"])]
+
+ evaluate(bulk_supercell)
+ bulk_supercell_pe = bulk_supercell.get_potential_energy()
+ properties = {
+ "bulk_struct_test": bulk_supercell.info["bulk_struct_test"],
+ "bulk_E_per_atom": bulk_supercell_pe / len(bulk_supercell),
+ "defects": {},
+ }
+
+ for vac_i in vacancy_list:
+ # maybe set up a system to read these from xyz file?
+ try:
+ relax_radial = bulk_supercell.info["relax_radial_{}".format(vac_i)]
+ except:
+ relax_radial = 0.0
+ try:
+ relax_symm_break = bulk_supercell.info["relax_symm_break_{}".format(vac_i)]
+ except:
+ relax_symm_break = 0.0
+ (
+ label,
+ unrelaxed_filename,
+ Ef0,
+ relaxed_filename,
+ Ef,
+ vac_Z,
+ vac_pos,
+ ) = do_one_vacancy(
+ bulk_supercell,
+ bulk_supercell_pe,
+ vac_i,
+ relax_radial,
+ relax_symm_break,
+ nn_cutoff,
+ tol,
+ )
+
+ properties["defects"][label] = {
+ "Ef0": Ef0,
+ "Ef": Ef,
+ "unrelaxed_filename": unrelaxed_filename,
+ "relaxed_filename": relaxed_filename,
+ "atom_ind": int(vac_i),
+ "Z": int(vac_Z),
+ "vac_pos": vac_pos.tolist(),
+ }
+ if len(set(bulk_supercell.get_atomic_numbers())) > 1:
+ properties["defects"][label]["dmu"] = [1, vac_Z]
+
+ print("returning properties", properties)
+ return properties
diff --git a/tests/3BPA/DONOTREADME b/testingframework/tests/3BPA/DONOTREADME
similarity index 100%
rename from tests/3BPA/DONOTREADME
rename to testingframework/tests/3BPA/DONOTREADME
diff --git a/tests/Al/RSS/random_structs.extxyz b/testingframework/tests/Al/RSS/random_structs.extxyz
similarity index 100%
rename from tests/Al/RSS/random_structs.extxyz
rename to testingframework/tests/Al/RSS/random_structs.extxyz
diff --git a/testingframework/tests/Al/RSS/test.py b/testingframework/tests/Al/RSS/test.py
new file mode 100644
index 000000000..77b36e4dd
--- /dev/null
+++ b/testingframework/tests/Al/RSS/test.py
@@ -0,0 +1,7 @@
+import os.path
+from RSS import do_RSS
+
+properties = do_RSS(
+ os.path.join(os.path.abspath(os.path.dirname(__file__)), "random_structs.extxyz"),
+ ":",
+)
diff --git a/tests/B/bulk_B_aB12/COMPUTATIONAL_COST b/testingframework/tests/B/bulk_B_aB12/COMPUTATIONAL_COST
similarity index 100%
rename from tests/B/bulk_B_aB12/COMPUTATIONAL_COST
rename to testingframework/tests/B/bulk_B_aB12/COMPUTATIONAL_COST
diff --git a/tests/B/bulk_B_aB12/REF_relaxed.min.EVs_DFT_aB12.xyz b/testingframework/tests/B/bulk_B_aB12/REF_relaxed.min.EVs_DFT_aB12.xyz
similarity index 100%
rename from tests/B/bulk_B_aB12/REF_relaxed.min.EVs_DFT_aB12.xyz
rename to testingframework/tests/B/bulk_B_aB12/REF_relaxed.min.EVs_DFT_aB12.xyz
diff --git a/tests/B/bulk_B_aB12/align_cell b/testingframework/tests/B/bulk_B_aB12/align_cell
similarity index 100%
rename from tests/B/bulk_B_aB12/align_cell
rename to testingframework/tests/B/bulk_B_aB12/align_cell
diff --git a/tests/B/bulk_B_aB12/bulk.xyz b/testingframework/tests/B/bulk_B_aB12/bulk.xyz
similarity index 100%
rename from tests/B/bulk_B_aB12/bulk.xyz
rename to testingframework/tests/B/bulk_B_aB12/bulk.xyz
diff --git a/tests/B/bulk_B_aB12/test.py b/testingframework/tests/B/bulk_B_aB12/test.py
similarity index 78%
rename from tests/B/bulk_B_aB12/test.py
rename to testingframework/tests/B/bulk_B_aB12/test.py
index 804856747..812709da4 100644
--- a/tests/B/bulk_B_aB12/test.py
+++ b/testingframework/tests/B/bulk_B_aB12/test.py
@@ -1,3 +1,3 @@
import os.path, lattice
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'hexagonal')
+properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), "hexagonal")
diff --git a/tests/B/bulk_B_aGa/REF_relaxed.min.EVs_DFT_aGa.xyz b/testingframework/tests/B/bulk_B_aGa/REF_relaxed.min.EVs_DFT_aGa.xyz
similarity index 100%
rename from tests/B/bulk_B_aGa/REF_relaxed.min.EVs_DFT_aGa.xyz
rename to testingframework/tests/B/bulk_B_aGa/REF_relaxed.min.EVs_DFT_aGa.xyz
diff --git a/tests/B/bulk_B_aGa/bulk.xyz b/testingframework/tests/B/bulk_B_aGa/bulk.xyz
similarity index 100%
rename from tests/B/bulk_B_aGa/bulk.xyz
rename to testingframework/tests/B/bulk_B_aGa/bulk.xyz
diff --git a/testingframework/tests/B/bulk_B_aGa/test.py b/testingframework/tests/B/bulk_B_aGa/test.py
new file mode 100644
index 000000000..68a4298f4
--- /dev/null
+++ b/testingframework/tests/B/bulk_B_aGa/test.py
@@ -0,0 +1,5 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(
+ os.path.abspath(os.path.dirname(__file__)), "orthorhombic"
+)
diff --git a/tests/B/bulk_B_gB28/REF_relaxed.min.EVs_DFT_gB28.xyz b/testingframework/tests/B/bulk_B_gB28/REF_relaxed.min.EVs_DFT_gB28.xyz
similarity index 100%
rename from tests/B/bulk_B_gB28/REF_relaxed.min.EVs_DFT_gB28.xyz
rename to testingframework/tests/B/bulk_B_gB28/REF_relaxed.min.EVs_DFT_gB28.xyz
diff --git a/tests/B/bulk_B_gB28/bulk.xyz b/testingframework/tests/B/bulk_B_gB28/bulk.xyz
similarity index 100%
rename from tests/B/bulk_B_gB28/bulk.xyz
rename to testingframework/tests/B/bulk_B_gB28/bulk.xyz
diff --git a/testingframework/tests/B/bulk_B_gB28/test.py b/testingframework/tests/B/bulk_B_gB28/test.py
new file mode 100644
index 000000000..68a4298f4
--- /dev/null
+++ b/testingframework/tests/B/bulk_B_gB28/test.py
@@ -0,0 +1,5 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(
+ os.path.abspath(os.path.dirname(__file__)), "orthorhombic"
+)
diff --git a/tests/B/point_defect_B_aB12_single_cell_vacancy/COMPUTATIONAL_COST b/testingframework/tests/B/point_defect_B_aB12_single_cell_vacancy/COMPUTATIONAL_COST
similarity index 100%
rename from tests/B/point_defect_B_aB12_single_cell_vacancy/COMPUTATIONAL_COST
rename to testingframework/tests/B/point_defect_B_aB12_single_cell_vacancy/COMPUTATIONAL_COST
diff --git a/tests/B/point_defect_B_aB12_single_cell_vacancy/README b/testingframework/tests/B/point_defect_B_aB12_single_cell_vacancy/README
similarity index 100%
rename from tests/B/point_defect_B_aB12_single_cell_vacancy/README
rename to testingframework/tests/B/point_defect_B_aB12_single_cell_vacancy/README
diff --git a/tests/B/point_defect_B_aB12_single_cell_vacancy/bulk_supercell.xyz b/testingframework/tests/B/point_defect_B_aB12_single_cell_vacancy/bulk_supercell.xyz
similarity index 100%
rename from tests/B/point_defect_B_aB12_single_cell_vacancy/bulk_supercell.xyz
rename to testingframework/tests/B/point_defect_B_aB12_single_cell_vacancy/bulk_supercell.xyz
diff --git a/testingframework/tests/B/point_defect_B_aB12_single_cell_vacancy/test.py b/testingframework/tests/B/point_defect_B_aB12_single_cell_vacancy/test.py
new file mode 100644
index 000000000..c4a0c2342
--- /dev/null
+++ b/testingframework/tests/B/point_defect_B_aB12_single_cell_vacancy/test.py
@@ -0,0 +1,5 @@
+import os.path, vacancy
+
+properties = vacancy.do_all_vacancies(
+ os.path.abspath(os.path.dirname(__file__)), nn_cutoff=2.7
+)
diff --git a/tests/B/point_defect_B_aB12_vacancy/COMPUTATIONAL_COST b/testingframework/tests/B/point_defect_B_aB12_vacancy/COMPUTATIONAL_COST
similarity index 100%
rename from tests/B/point_defect_B_aB12_vacancy/COMPUTATIONAL_COST
rename to testingframework/tests/B/point_defect_B_aB12_vacancy/COMPUTATIONAL_COST
diff --git a/tests/B/point_defect_B_aB12_vacancy/README b/testingframework/tests/B/point_defect_B_aB12_vacancy/README
similarity index 100%
rename from tests/B/point_defect_B_aB12_vacancy/README
rename to testingframework/tests/B/point_defect_B_aB12_vacancy/README
diff --git a/tests/B/point_defect_B_aB12_vacancy/bulk_supercell.xyz b/testingframework/tests/B/point_defect_B_aB12_vacancy/bulk_supercell.xyz
similarity index 100%
rename from tests/B/point_defect_B_aB12_vacancy/bulk_supercell.xyz
rename to testingframework/tests/B/point_defect_B_aB12_vacancy/bulk_supercell.xyz
diff --git a/testingframework/tests/B/point_defect_B_aB12_vacancy/test.py b/testingframework/tests/B/point_defect_B_aB12_vacancy/test.py
new file mode 100644
index 000000000..c4a0c2342
--- /dev/null
+++ b/testingframework/tests/B/point_defect_B_aB12_vacancy/test.py
@@ -0,0 +1,5 @@
+import os.path, vacancy
+
+properties = vacancy.do_all_vacancies(
+ os.path.abspath(os.path.dirname(__file__)), nn_cutoff=2.7
+)
diff --git a/tests/B/surface_B_aB12_0001/COMPUTATIONAL_COST b/testingframework/tests/B/surface_B_aB12_0001/COMPUTATIONAL_COST
similarity index 100%
rename from tests/B/surface_B_aB12_0001/COMPUTATIONAL_COST
rename to testingframework/tests/B/surface_B_aB12_0001/COMPUTATIONAL_COST
diff --git a/tests/B/surface_B_aB12_0001/README b/testingframework/tests/B/surface_B_aB12_0001/README
similarity index 100%
rename from tests/B/surface_B_aB12_0001/README
rename to testingframework/tests/B/surface_B_aB12_0001/README
diff --git a/tests/B/surface_B_aB12_0001/surface.xyz b/testingframework/tests/B/surface_B_aB12_0001/surface.xyz
similarity index 100%
rename from tests/B/surface_B_aB12_0001/surface.xyz
rename to testingframework/tests/B/surface_B_aB12_0001/surface.xyz
diff --git a/tests/B/surface_B_aB12_0001/test.py b/testingframework/tests/B/surface_B_aB12_0001/test.py
similarity index 100%
rename from tests/B/surface_B_aB12_0001/test.py
rename to testingframework/tests/B/surface_B_aB12_0001/test.py
diff --git a/tests/CH4/atomisation/CH4_dis_all_atoms.xyz b/testingframework/tests/CH4/atomisation/CH4_dis_all_atoms.xyz
similarity index 100%
rename from tests/CH4/atomisation/CH4_dis_all_atoms.xyz
rename to testingframework/tests/CH4/atomisation/CH4_dis_all_atoms.xyz
diff --git a/tests/CH4/atomisation/atomisation_1.xyz b/testingframework/tests/CH4/atomisation/atomisation_1.xyz
similarity index 100%
rename from tests/CH4/atomisation/atomisation_1.xyz
rename to testingframework/tests/CH4/atomisation/atomisation_1.xyz
diff --git a/tests/CH4/atomisation/atomisation_2.xyz b/testingframework/tests/CH4/atomisation/atomisation_2.xyz
similarity index 100%
rename from tests/CH4/atomisation/atomisation_2.xyz
rename to testingframework/tests/CH4/atomisation/atomisation_2.xyz
diff --git a/tests/CH4/atomisation/atomisation_3.xyz b/testingframework/tests/CH4/atomisation/atomisation_3.xyz
similarity index 100%
rename from tests/CH4/atomisation/atomisation_3.xyz
rename to testingframework/tests/CH4/atomisation/atomisation_3.xyz
diff --git a/tests/CH4/atomisation/atomisation_4.xyz b/testingframework/tests/CH4/atomisation/atomisation_4.xyz
similarity index 100%
rename from tests/CH4/atomisation/atomisation_4.xyz
rename to testingframework/tests/CH4/atomisation/atomisation_4.xyz
diff --git a/testingframework/tests/CH4/atomisation/test.py b/testingframework/tests/CH4/atomisation/test.py
new file mode 100644
index 000000000..19a03425a
--- /dev/null
+++ b/testingframework/tests/CH4/atomisation/test.py
@@ -0,0 +1,13 @@
+from testingframework.share.utilities import path_of_file, evaluate_file
+
+filenamelist = [
+ "atomisation_1.xyz",
+ "atomisation_2.xyz",
+ "atomisation_3.xyz",
+ "atomisation_4.xyz",
+]
+
+for filename in filenamelist:
+ evaluate_file(path_of_file(__file__) + "/" + filename)
+
+properties = {"files": filenamelist}
diff --git a/tests/CSiGe/bulk_C_diamond/COMPUTATIONAL_COST b/testingframework/tests/CSiGe/bulk_C_diamond/COMPUTATIONAL_COST
similarity index 100%
rename from tests/CSiGe/bulk_C_diamond/COMPUTATIONAL_COST
rename to testingframework/tests/CSiGe/bulk_C_diamond/COMPUTATIONAL_COST
diff --git a/tests/CSiGe/bulk_C_diamond/bulk.xyz b/testingframework/tests/CSiGe/bulk_C_diamond/bulk.xyz
similarity index 100%
rename from tests/CSiGe/bulk_C_diamond/bulk.xyz
rename to testingframework/tests/CSiGe/bulk_C_diamond/bulk.xyz
diff --git a/tests/CSiGe/bulk_GeC_zincblende/test.py b/testingframework/tests/CSiGe/bulk_C_diamond/test.py
similarity index 80%
rename from tests/CSiGe/bulk_GeC_zincblende/test.py
rename to testingframework/tests/CSiGe/bulk_C_diamond/test.py
index 5539f31c5..6688d2917 100644
--- a/tests/CSiGe/bulk_GeC_zincblende/test.py
+++ b/testingframework/tests/CSiGe/bulk_C_diamond/test.py
@@ -1,3 +1,3 @@
import os.path, lattice
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'cubic')
+properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), "cubic")
diff --git a/tests/CSiGe/bulk_GeC_zincblende/COMPUTATIONAL_COST b/testingframework/tests/CSiGe/bulk_GeC_zincblende/COMPUTATIONAL_COST
similarity index 100%
rename from tests/CSiGe/bulk_GeC_zincblende/COMPUTATIONAL_COST
rename to testingframework/tests/CSiGe/bulk_GeC_zincblende/COMPUTATIONAL_COST
diff --git a/tests/CSiGe/bulk_GeC_zincblende/bulk.xyz b/testingframework/tests/CSiGe/bulk_GeC_zincblende/bulk.xyz
similarity index 100%
rename from tests/CSiGe/bulk_GeC_zincblende/bulk.xyz
rename to testingframework/tests/CSiGe/bulk_GeC_zincblende/bulk.xyz
diff --git a/tests/CSiGe/bulk_C_diamond/test.py b/testingframework/tests/CSiGe/bulk_GeC_zincblende/test.py
similarity index 80%
rename from tests/CSiGe/bulk_C_diamond/test.py
rename to testingframework/tests/CSiGe/bulk_GeC_zincblende/test.py
index 5539f31c5..6688d2917 100644
--- a/tests/CSiGe/bulk_C_diamond/test.py
+++ b/testingframework/tests/CSiGe/bulk_GeC_zincblende/test.py
@@ -1,3 +1,3 @@
import os.path, lattice
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'cubic')
+properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), "cubic")
diff --git a/tests/CSiGe/bulk_Ge_diamond/COMPUTATIONAL_COST b/testingframework/tests/CSiGe/bulk_Ge_diamond/COMPUTATIONAL_COST
similarity index 100%
rename from tests/CSiGe/bulk_Ge_diamond/COMPUTATIONAL_COST
rename to testingframework/tests/CSiGe/bulk_Ge_diamond/COMPUTATIONAL_COST
diff --git a/tests/CSiGe/bulk_Ge_diamond/bulk.xyz b/testingframework/tests/CSiGe/bulk_Ge_diamond/bulk.xyz
similarity index 100%
rename from tests/CSiGe/bulk_Ge_diamond/bulk.xyz
rename to testingframework/tests/CSiGe/bulk_Ge_diamond/bulk.xyz
diff --git a/tests/CSiGe/bulk_SiC_zincblende/test.py b/testingframework/tests/CSiGe/bulk_Ge_diamond/test.py
similarity index 80%
rename from tests/CSiGe/bulk_SiC_zincblende/test.py
rename to testingframework/tests/CSiGe/bulk_Ge_diamond/test.py
index 5539f31c5..6688d2917 100644
--- a/tests/CSiGe/bulk_SiC_zincblende/test.py
+++ b/testingframework/tests/CSiGe/bulk_Ge_diamond/test.py
@@ -1,3 +1,3 @@
import os.path, lattice
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'cubic')
+properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), "cubic")
diff --git a/tests/CSiGe/bulk_SiC_zincblende/COMPUTATIONAL_COST b/testingframework/tests/CSiGe/bulk_SiC_zincblende/COMPUTATIONAL_COST
similarity index 100%
rename from tests/CSiGe/bulk_SiC_zincblende/COMPUTATIONAL_COST
rename to testingframework/tests/CSiGe/bulk_SiC_zincblende/COMPUTATIONAL_COST
diff --git a/tests/CSiGe/bulk_SiC_zincblende/bulk.xyz b/testingframework/tests/CSiGe/bulk_SiC_zincblende/bulk.xyz
similarity index 100%
rename from tests/CSiGe/bulk_SiC_zincblende/bulk.xyz
rename to testingframework/tests/CSiGe/bulk_SiC_zincblende/bulk.xyz
diff --git a/tests/CSiGe/bulk_Ge_diamond/test.py b/testingframework/tests/CSiGe/bulk_SiC_zincblende/test.py
similarity index 80%
rename from tests/CSiGe/bulk_Ge_diamond/test.py
rename to testingframework/tests/CSiGe/bulk_SiC_zincblende/test.py
index 5539f31c5..6688d2917 100644
--- a/tests/CSiGe/bulk_Ge_diamond/test.py
+++ b/testingframework/tests/CSiGe/bulk_SiC_zincblende/test.py
@@ -1,3 +1,3 @@
import os.path, lattice
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'cubic')
+properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), "cubic")
diff --git a/tests/CSiGe/bulk_SiGeC_zincblende/COMPUTATIONAL_COST b/testingframework/tests/CSiGe/bulk_SiGeC_zincblende/COMPUTATIONAL_COST
similarity index 100%
rename from tests/CSiGe/bulk_SiGeC_zincblende/COMPUTATIONAL_COST
rename to testingframework/tests/CSiGe/bulk_SiGeC_zincblende/COMPUTATIONAL_COST
diff --git a/tests/CSiGe/bulk_SiGeC_zincblende/bulk.xyz b/testingframework/tests/CSiGe/bulk_SiGeC_zincblende/bulk.xyz
similarity index 100%
rename from tests/CSiGe/bulk_SiGeC_zincblende/bulk.xyz
rename to testingframework/tests/CSiGe/bulk_SiGeC_zincblende/bulk.xyz
diff --git a/testingframework/tests/CSiGe/bulk_SiGeC_zincblende/test.py b/testingframework/tests/CSiGe/bulk_SiGeC_zincblende/test.py
new file mode 100644
index 000000000..6688d2917
--- /dev/null
+++ b/testingframework/tests/CSiGe/bulk_SiGeC_zincblende/test.py
@@ -0,0 +1,3 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), "cubic")
diff --git a/tests/CSiGe/bulk_SiGe_zincblende/COMPUTATIONAL_COST b/testingframework/tests/CSiGe/bulk_SiGe_zincblende/COMPUTATIONAL_COST
similarity index 100%
rename from tests/CSiGe/bulk_SiGe_zincblende/COMPUTATIONAL_COST
rename to testingframework/tests/CSiGe/bulk_SiGe_zincblende/COMPUTATIONAL_COST
diff --git a/tests/CSiGe/bulk_SiGe_zincblende/bulk.xyz b/testingframework/tests/CSiGe/bulk_SiGe_zincblende/bulk.xyz
similarity index 100%
rename from tests/CSiGe/bulk_SiGe_zincblende/bulk.xyz
rename to testingframework/tests/CSiGe/bulk_SiGe_zincblende/bulk.xyz
diff --git a/testingframework/tests/CSiGe/bulk_SiGe_zincblende/test.py b/testingframework/tests/CSiGe/bulk_SiGe_zincblende/test.py
new file mode 100644
index 000000000..6688d2917
--- /dev/null
+++ b/testingframework/tests/CSiGe/bulk_SiGe_zincblende/test.py
@@ -0,0 +1,3 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), "cubic")
diff --git a/tests/CSiGe/bulk_Si_diamond/COMPUTATIONAL_COST b/testingframework/tests/CSiGe/bulk_Si_diamond/COMPUTATIONAL_COST
similarity index 100%
rename from tests/CSiGe/bulk_Si_diamond/COMPUTATIONAL_COST
rename to testingframework/tests/CSiGe/bulk_Si_diamond/COMPUTATIONAL_COST
diff --git a/tests/CSiGe/bulk_Si_diamond/bulk.xyz b/testingframework/tests/CSiGe/bulk_Si_diamond/bulk.xyz
similarity index 100%
rename from tests/CSiGe/bulk_Si_diamond/bulk.xyz
rename to testingframework/tests/CSiGe/bulk_Si_diamond/bulk.xyz
diff --git a/testingframework/tests/CSiGe/bulk_Si_diamond/test.py b/testingframework/tests/CSiGe/bulk_Si_diamond/test.py
new file mode 100644
index 000000000..6688d2917
--- /dev/null
+++ b/testingframework/tests/CSiGe/bulk_Si_diamond/test.py
@@ -0,0 +1,3 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), "cubic")
diff --git a/tests/CSiGe/surface_SiC_zincblende_111/surface.xyz b/testingframework/tests/CSiGe/surface_SiC_zincblende_111/surface.xyz
similarity index 100%
rename from tests/CSiGe/surface_SiC_zincblende_111/surface.xyz
rename to testingframework/tests/CSiGe/surface_SiC_zincblende_111/surface.xyz
diff --git a/tests/CSiGe/surface_SiC_zincblende_111/test.py b/testingframework/tests/CSiGe/surface_SiC_zincblende_111/test.py
similarity index 100%
rename from tests/CSiGe/surface_SiC_zincblende_111/test.py
rename to testingframework/tests/CSiGe/surface_SiC_zincblende_111/test.py
diff --git a/tests/CSiGe/surface_SiC_zincblende_111_C_adatom/surface.xyz b/testingframework/tests/CSiGe/surface_SiC_zincblende_111_C_adatom/surface.xyz
similarity index 100%
rename from tests/CSiGe/surface_SiC_zincblende_111_C_adatom/surface.xyz
rename to testingframework/tests/CSiGe/surface_SiC_zincblende_111_C_adatom/surface.xyz
diff --git a/tests/CSiGe/surface_SiC_zincblende_111_C_adatom/test.py b/testingframework/tests/CSiGe/surface_SiC_zincblende_111_C_adatom/test.py
similarity index 100%
rename from tests/CSiGe/surface_SiC_zincblende_111_C_adatom/test.py
rename to testingframework/tests/CSiGe/surface_SiC_zincblende_111_C_adatom/test.py
diff --git a/tests/CSiGe/surface_Si_diamond_100/surface.xyz b/testingframework/tests/CSiGe/surface_Si_diamond_100/surface.xyz
similarity index 100%
rename from tests/CSiGe/surface_Si_diamond_100/surface.xyz
rename to testingframework/tests/CSiGe/surface_Si_diamond_100/surface.xyz
diff --git a/tests/CSiGe/surface_Si_diamond_100/test.py b/testingframework/tests/CSiGe/surface_Si_diamond_100/test.py
similarity index 100%
rename from tests/CSiGe/surface_Si_diamond_100/test.py
rename to testingframework/tests/CSiGe/surface_Si_diamond_100/test.py
diff --git a/tests/CSiGe/vacancy_Ge_diamond/bulk_supercell.xyz b/testingframework/tests/CSiGe/vacancy_Ge_diamond/bulk_supercell.xyz
similarity index 100%
rename from tests/CSiGe/vacancy_Ge_diamond/bulk_supercell.xyz
rename to testingframework/tests/CSiGe/vacancy_Ge_diamond/bulk_supercell.xyz
diff --git a/testingframework/tests/CSiGe/vacancy_Ge_diamond/test.py b/testingframework/tests/CSiGe/vacancy_Ge_diamond/test.py
new file mode 100644
index 000000000..c4a0c2342
--- /dev/null
+++ b/testingframework/tests/CSiGe/vacancy_Ge_diamond/test.py
@@ -0,0 +1,5 @@
+import os.path, vacancy
+
+properties = vacancy.do_all_vacancies(
+ os.path.abspath(os.path.dirname(__file__)), nn_cutoff=2.7
+)
diff --git a/tests/CSiGe/vacancy_SiC_zincblende/bulk_supercell.xyz b/testingframework/tests/CSiGe/vacancy_SiC_zincblende/bulk_supercell.xyz
similarity index 100%
rename from tests/CSiGe/vacancy_SiC_zincblende/bulk_supercell.xyz
rename to testingframework/tests/CSiGe/vacancy_SiC_zincblende/bulk_supercell.xyz
diff --git a/testingframework/tests/CSiGe/vacancy_SiC_zincblende/test.py b/testingframework/tests/CSiGe/vacancy_SiC_zincblende/test.py
new file mode 100644
index 000000000..c4a0c2342
--- /dev/null
+++ b/testingframework/tests/CSiGe/vacancy_SiC_zincblende/test.py
@@ -0,0 +1,5 @@
+import os.path, vacancy
+
+properties = vacancy.do_all_vacancies(
+ os.path.abspath(os.path.dirname(__file__)), nn_cutoff=2.7
+)
diff --git a/tests/CSiGe/vacancy_SiGeC_zincblende/bulk_supercell.xyz b/testingframework/tests/CSiGe/vacancy_SiGeC_zincblende/bulk_supercell.xyz
similarity index 100%
rename from tests/CSiGe/vacancy_SiGeC_zincblende/bulk_supercell.xyz
rename to testingframework/tests/CSiGe/vacancy_SiGeC_zincblende/bulk_supercell.xyz
diff --git a/testingframework/tests/CSiGe/vacancy_SiGeC_zincblende/test.py b/testingframework/tests/CSiGe/vacancy_SiGeC_zincblende/test.py
new file mode 100644
index 000000000..c4a0c2342
--- /dev/null
+++ b/testingframework/tests/CSiGe/vacancy_SiGeC_zincblende/test.py
@@ -0,0 +1,5 @@
+import os.path, vacancy
+
+properties = vacancy.do_all_vacancies(
+ os.path.abspath(os.path.dirname(__file__)), nn_cutoff=2.7
+)
diff --git a/tests/CSiGe/vacancy_Si_diamond/bulk_supercell.xyz b/testingframework/tests/CSiGe/vacancy_Si_diamond/bulk_supercell.xyz
similarity index 100%
rename from tests/CSiGe/vacancy_Si_diamond/bulk_supercell.xyz
rename to testingframework/tests/CSiGe/vacancy_Si_diamond/bulk_supercell.xyz
diff --git a/testingframework/tests/CSiGe/vacancy_Si_diamond/test.py b/testingframework/tests/CSiGe/vacancy_Si_diamond/test.py
new file mode 100644
index 000000000..c4a0c2342
--- /dev/null
+++ b/testingframework/tests/CSiGe/vacancy_Si_diamond/test.py
@@ -0,0 +1,5 @@
+import os.path, vacancy
+
+properties = vacancy.do_all_vacancies(
+ os.path.abspath(os.path.dirname(__file__)), nn_cutoff=2.7
+)
diff --git a/tests/GeSbTe/Ge_diamond_compression/bulk.xyz b/testingframework/tests/GeSbTe/Ge_diamond_compression/bulk.xyz
similarity index 100%
rename from tests/GeSbTe/Ge_diamond_compression/bulk.xyz
rename to testingframework/tests/GeSbTe/Ge_diamond_compression/bulk.xyz
diff --git a/testingframework/tests/GeSbTe/Ge_diamond_compression/test.py b/testingframework/tests/GeSbTe/Ge_diamond_compression/test.py
new file mode 100644
index 000000000..bbc8ff391
--- /dev/null
+++ b/testingframework/tests/GeSbTe/Ge_diamond_compression/test.py
@@ -0,0 +1,41 @@
+import os.path, ase.io
+from testingframework.share.utilities import relax_config, run_root
+import random
+import quippy
+
+test_dir = os.path.abspath(os.path.dirname(__file__))
+
+bulk = ase.io.read(os.path.join(test_dir, "bulk.xyz"), format="extxyz")
+tol = 1.0e-3 # hack to work around bad convergence
+relaxed_bulk = relax_config(
+ bulk,
+ relax_pos=True,
+ relax_cell=True,
+ tol=tol,
+ traj_file=None,
+ config_label="bulk",
+ from_base_model=True,
+ save_config=True,
+)
+relaxed_bulk_pe = relaxed_bulk.get_potential_energy() / len(bulk)
+
+orig_cell = relaxed_bulk.get_cell()
+energies = []
+ns = 20
+for i in range(0, ns + 1):
+ l_factor = 1.0 - 0.5 * float(i) / float(ns)
+ relaxed_bulk.set_cell(orig_cell * l_factor, True)
+ qrb = quippy.Atoms(relaxed_bulk)
+ qrb.set_cutoff(3.0)
+ qrb.calc_connect()
+ try:
+ energies.append(
+ [
+ min([nn.distance for nn in qrb.neighbours[1]]),
+ relaxed_bulk.get_potential_energy() / len(relaxed_bulk),
+ ]
+ )
+ except:
+ break
+
+properties = {"unrelaxed_energies": energies}
diff --git a/tests/GeSbTe/Peierls/.ipynb_checkpoints/Distortions-checkpoint.ipynb b/testingframework/tests/GeSbTe/Peierls/.ipynb_checkpoints/Distortions-checkpoint.ipynb
similarity index 100%
rename from tests/GeSbTe/Peierls/.ipynb_checkpoints/Distortions-checkpoint.ipynb
rename to testingframework/tests/GeSbTe/Peierls/.ipynb_checkpoints/Distortions-checkpoint.ipynb
diff --git a/tests/GeSbTe/Peierls/Distortions.ipynb b/testingframework/tests/GeSbTe/Peierls/Distortions.ipynb
similarity index 100%
rename from tests/GeSbTe/Peierls/Distortions.ipynb
rename to testingframework/tests/GeSbTe/Peierls/Distortions.ipynb
diff --git a/tests/GeSbTe/bulk_Ge2Sb2Te5_P1_Kooi/COMPUTATIONAL_COST b/testingframework/tests/GeSbTe/bulk_Ge2Sb2Te5_P1_Kooi/COMPUTATIONAL_COST
similarity index 100%
rename from tests/GeSbTe/bulk_Ge2Sb2Te5_P1_Kooi/COMPUTATIONAL_COST
rename to testingframework/tests/GeSbTe/bulk_Ge2Sb2Te5_P1_Kooi/COMPUTATIONAL_COST
diff --git a/tests/GeSbTe/bulk_Ge2Sb2Te5_P1_Kooi/bulk.xyz b/testingframework/tests/GeSbTe/bulk_Ge2Sb2Te5_P1_Kooi/bulk.xyz
similarity index 100%
rename from tests/GeSbTe/bulk_Ge2Sb2Te5_P1_Kooi/bulk.xyz
rename to testingframework/tests/GeSbTe/bulk_Ge2Sb2Te5_P1_Kooi/bulk.xyz
diff --git a/testingframework/tests/GeSbTe/bulk_Ge2Sb2Te5_P1_Kooi/test.py b/testingframework/tests/GeSbTe/bulk_Ge2Sb2Te5_P1_Kooi/test.py
new file mode 100644
index 000000000..c27695a64
--- /dev/null
+++ b/testingframework/tests/GeSbTe/bulk_Ge2Sb2Te5_P1_Kooi/test.py
@@ -0,0 +1,5 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(
+ os.path.abspath(os.path.dirname(__file__)), "tetragonal"
+)
diff --git a/tests/GeSbTe/bulk_GeTe_Fm-3m/COMPUTATIONAL_COST b/testingframework/tests/GeSbTe/bulk_GeTe_Fm-3m/COMPUTATIONAL_COST
similarity index 100%
rename from tests/GeSbTe/bulk_GeTe_Fm-3m/COMPUTATIONAL_COST
rename to testingframework/tests/GeSbTe/bulk_GeTe_Fm-3m/COMPUTATIONAL_COST
diff --git a/tests/GeSbTe/bulk_GeTe_Fm-3m/bulk.xyz b/testingframework/tests/GeSbTe/bulk_GeTe_Fm-3m/bulk.xyz
similarity index 100%
rename from tests/GeSbTe/bulk_GeTe_Fm-3m/bulk.xyz
rename to testingframework/tests/GeSbTe/bulk_GeTe_Fm-3m/bulk.xyz
diff --git a/testingframework/tests/GeSbTe/bulk_GeTe_Fm-3m/test.py b/testingframework/tests/GeSbTe/bulk_GeTe_Fm-3m/test.py
new file mode 100644
index 000000000..6688d2917
--- /dev/null
+++ b/testingframework/tests/GeSbTe/bulk_GeTe_Fm-3m/test.py
@@ -0,0 +1,3 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), "cubic")
diff --git a/tests/GeSbTe/bulk_GeTe_R3m/COMPUTATIONAL_COST b/testingframework/tests/GeSbTe/bulk_GeTe_R3m/COMPUTATIONAL_COST
similarity index 100%
rename from tests/GeSbTe/bulk_GeTe_R3m/COMPUTATIONAL_COST
rename to testingframework/tests/GeSbTe/bulk_GeTe_R3m/COMPUTATIONAL_COST
diff --git a/tests/GeSbTe/bulk_GeTe_R3m/bulk.xyz b/testingframework/tests/GeSbTe/bulk_GeTe_R3m/bulk.xyz
similarity index 100%
rename from tests/GeSbTe/bulk_GeTe_R3m/bulk.xyz
rename to testingframework/tests/GeSbTe/bulk_GeTe_R3m/bulk.xyz
diff --git a/testingframework/tests/GeSbTe/bulk_GeTe_R3m/test.py b/testingframework/tests/GeSbTe/bulk_GeTe_R3m/test.py
new file mode 100644
index 000000000..c27695a64
--- /dev/null
+++ b/testingframework/tests/GeSbTe/bulk_GeTe_R3m/test.py
@@ -0,0 +1,5 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(
+ os.path.abspath(os.path.dirname(__file__)), "tetragonal"
+)
diff --git a/tests/GeSbTe/bulk_Ge_diamond/COMPUTATIONAL_COST b/testingframework/tests/GeSbTe/bulk_Ge_diamond/COMPUTATIONAL_COST
similarity index 100%
rename from tests/GeSbTe/bulk_Ge_diamond/COMPUTATIONAL_COST
rename to testingframework/tests/GeSbTe/bulk_Ge_diamond/COMPUTATIONAL_COST
diff --git a/tests/GeSbTe/bulk_Ge_diamond/bulk.xyz b/testingframework/tests/GeSbTe/bulk_Ge_diamond/bulk.xyz
similarity index 100%
rename from tests/GeSbTe/bulk_Ge_diamond/bulk.xyz
rename to testingframework/tests/GeSbTe/bulk_Ge_diamond/bulk.xyz
diff --git a/testingframework/tests/GeSbTe/bulk_Ge_diamond/test.py b/testingframework/tests/GeSbTe/bulk_Ge_diamond/test.py
new file mode 100644
index 000000000..6688d2917
--- /dev/null
+++ b/testingframework/tests/GeSbTe/bulk_Ge_diamond/test.py
@@ -0,0 +1,3 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), "cubic")
diff --git a/tests/GeSbTe/bulk_Sb2Te3_R-3m/COMPUTATIONAL_COST b/testingframework/tests/GeSbTe/bulk_Sb2Te3_R-3m/COMPUTATIONAL_COST
similarity index 100%
rename from tests/GeSbTe/bulk_Sb2Te3_R-3m/COMPUTATIONAL_COST
rename to testingframework/tests/GeSbTe/bulk_Sb2Te3_R-3m/COMPUTATIONAL_COST
diff --git a/tests/GeSbTe/bulk_Sb2Te3_R-3m/bulk.xyz b/testingframework/tests/GeSbTe/bulk_Sb2Te3_R-3m/bulk.xyz
similarity index 100%
rename from tests/GeSbTe/bulk_Sb2Te3_R-3m/bulk.xyz
rename to testingframework/tests/GeSbTe/bulk_Sb2Te3_R-3m/bulk.xyz
diff --git a/testingframework/tests/GeSbTe/bulk_Sb2Te3_R-3m/test.py b/testingframework/tests/GeSbTe/bulk_Sb2Te3_R-3m/test.py
new file mode 100644
index 000000000..c27695a64
--- /dev/null
+++ b/testingframework/tests/GeSbTe/bulk_Sb2Te3_R-3m/test.py
@@ -0,0 +1,5 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(
+ os.path.abspath(os.path.dirname(__file__)), "tetragonal"
+)
diff --git a/tests/GeSbTe/bulk_Sb2Te_P-3m1/COMPUTATIONAL_COST b/testingframework/tests/GeSbTe/bulk_Sb2Te_P-3m1/COMPUTATIONAL_COST
similarity index 100%
rename from tests/GeSbTe/bulk_Sb2Te_P-3m1/COMPUTATIONAL_COST
rename to testingframework/tests/GeSbTe/bulk_Sb2Te_P-3m1/COMPUTATIONAL_COST
diff --git a/tests/GeSbTe/bulk_Sb2Te_P-3m1/bulk.xyz b/testingframework/tests/GeSbTe/bulk_Sb2Te_P-3m1/bulk.xyz
similarity index 100%
rename from tests/GeSbTe/bulk_Sb2Te_P-3m1/bulk.xyz
rename to testingframework/tests/GeSbTe/bulk_Sb2Te_P-3m1/bulk.xyz
diff --git a/testingframework/tests/GeSbTe/bulk_Sb2Te_P-3m1/test.py b/testingframework/tests/GeSbTe/bulk_Sb2Te_P-3m1/test.py
new file mode 100644
index 000000000..c27695a64
--- /dev/null
+++ b/testingframework/tests/GeSbTe/bulk_Sb2Te_P-3m1/test.py
@@ -0,0 +1,5 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(
+ os.path.abspath(os.path.dirname(__file__)), "tetragonal"
+)
diff --git a/tests/GeSbTe/bulk_Sb_alpha-As/COMPUTATIONAL_COST b/testingframework/tests/GeSbTe/bulk_Sb_alpha-As/COMPUTATIONAL_COST
similarity index 100%
rename from tests/GeSbTe/bulk_Sb_alpha-As/COMPUTATIONAL_COST
rename to testingframework/tests/GeSbTe/bulk_Sb_alpha-As/COMPUTATIONAL_COST
diff --git a/tests/GeSbTe/bulk_Sb_alpha-As/bulk.xyz b/testingframework/tests/GeSbTe/bulk_Sb_alpha-As/bulk.xyz
similarity index 100%
rename from tests/GeSbTe/bulk_Sb_alpha-As/bulk.xyz
rename to testingframework/tests/GeSbTe/bulk_Sb_alpha-As/bulk.xyz
diff --git a/testingframework/tests/GeSbTe/bulk_Sb_alpha-As/test.py b/testingframework/tests/GeSbTe/bulk_Sb_alpha-As/test.py
new file mode 100644
index 000000000..c27695a64
--- /dev/null
+++ b/testingframework/tests/GeSbTe/bulk_Sb_alpha-As/test.py
@@ -0,0 +1,5 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(
+ os.path.abspath(os.path.dirname(__file__)), "tetragonal"
+)
diff --git a/tests/GeSbTe/bulk_Te_C2_slash_m/COMPUTATIONAL_COST b/testingframework/tests/GeSbTe/bulk_Te_C2_slash_m/COMPUTATIONAL_COST
similarity index 100%
rename from tests/GeSbTe/bulk_Te_C2_slash_m/COMPUTATIONAL_COST
rename to testingframework/tests/GeSbTe/bulk_Te_C2_slash_m/COMPUTATIONAL_COST
diff --git a/tests/GeSbTe/bulk_Te_C2_slash_m/Te_mp-570459_primitive.cif b/testingframework/tests/GeSbTe/bulk_Te_C2_slash_m/Te_mp-570459_primitive.cif
similarity index 100%
rename from tests/GeSbTe/bulk_Te_C2_slash_m/Te_mp-570459_primitive.cif
rename to testingframework/tests/GeSbTe/bulk_Te_C2_slash_m/Te_mp-570459_primitive.cif
diff --git a/tests/GeSbTe/bulk_Te_C2_slash_m/bulk.xyz b/testingframework/tests/GeSbTe/bulk_Te_C2_slash_m/bulk.xyz
similarity index 100%
rename from tests/GeSbTe/bulk_Te_C2_slash_m/bulk.xyz
rename to testingframework/tests/GeSbTe/bulk_Te_C2_slash_m/bulk.xyz
diff --git a/testingframework/tests/GeSbTe/bulk_Te_C2_slash_m/test.py b/testingframework/tests/GeSbTe/bulk_Te_C2_slash_m/test.py
new file mode 100644
index 000000000..c27695a64
--- /dev/null
+++ b/testingframework/tests/GeSbTe/bulk_Te_C2_slash_m/test.py
@@ -0,0 +1,5 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(
+ os.path.abspath(os.path.dirname(__file__)), "tetragonal"
+)
diff --git a/tests/GeSbTe/bulk_Te_P3_121/COMPUTATIONAL_COST b/testingframework/tests/GeSbTe/bulk_Te_P3_121/COMPUTATIONAL_COST
similarity index 100%
rename from tests/GeSbTe/bulk_Te_P3_121/COMPUTATIONAL_COST
rename to testingframework/tests/GeSbTe/bulk_Te_P3_121/COMPUTATIONAL_COST
diff --git a/tests/GeSbTe/bulk_Te_P3_121/bulk.xyz b/testingframework/tests/GeSbTe/bulk_Te_P3_121/bulk.xyz
similarity index 100%
rename from tests/GeSbTe/bulk_Te_P3_121/bulk.xyz
rename to testingframework/tests/GeSbTe/bulk_Te_P3_121/bulk.xyz
diff --git a/testingframework/tests/GeSbTe/bulk_Te_P3_121/test.py b/testingframework/tests/GeSbTe/bulk_Te_P3_121/test.py
new file mode 100644
index 000000000..c27695a64
--- /dev/null
+++ b/testingframework/tests/GeSbTe/bulk_Te_P3_121/test.py
@@ -0,0 +1,5 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(
+ os.path.abspath(os.path.dirname(__file__)), "tetragonal"
+)
diff --git a/tests/GeSbTe/bulk_Te_Pm3m/COMPUTATIONAL_COST b/testingframework/tests/GeSbTe/bulk_Te_Pm3m/COMPUTATIONAL_COST
similarity index 100%
rename from tests/GeSbTe/bulk_Te_Pm3m/COMPUTATIONAL_COST
rename to testingframework/tests/GeSbTe/bulk_Te_Pm3m/COMPUTATIONAL_COST
diff --git a/tests/GeSbTe/bulk_Te_Pm3m/Te_mp-10654_primitive.cif b/testingframework/tests/GeSbTe/bulk_Te_Pm3m/Te_mp-10654_primitive.cif
similarity index 100%
rename from tests/GeSbTe/bulk_Te_Pm3m/Te_mp-10654_primitive.cif
rename to testingframework/tests/GeSbTe/bulk_Te_Pm3m/Te_mp-10654_primitive.cif
diff --git a/tests/GeSbTe/bulk_Te_Pm3m/bulk.POSCAR b/testingframework/tests/GeSbTe/bulk_Te_Pm3m/bulk.POSCAR
similarity index 100%
rename from tests/GeSbTe/bulk_Te_Pm3m/bulk.POSCAR
rename to testingframework/tests/GeSbTe/bulk_Te_Pm3m/bulk.POSCAR
diff --git a/tests/GeSbTe/bulk_Te_Pm3m/bulk.xyz b/testingframework/tests/GeSbTe/bulk_Te_Pm3m/bulk.xyz
similarity index 100%
rename from tests/GeSbTe/bulk_Te_Pm3m/bulk.xyz
rename to testingframework/tests/GeSbTe/bulk_Te_Pm3m/bulk.xyz
diff --git a/testingframework/tests/GeSbTe/bulk_Te_Pm3m/test.py b/testingframework/tests/GeSbTe/bulk_Te_Pm3m/test.py
new file mode 100755
index 000000000..6688d2917
--- /dev/null
+++ b/testingframework/tests/GeSbTe/bulk_Te_Pm3m/test.py
@@ -0,0 +1,3 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), "cubic")
diff --git a/tests/GeSbTe/bulk_Te_Pm3m/test.py.new b/testingframework/tests/GeSbTe/bulk_Te_Pm3m/test.py.new
similarity index 100%
rename from tests/GeSbTe/bulk_Te_Pm3m/test.py.new
rename to testingframework/tests/GeSbTe/bulk_Te_Pm3m/test.py.new
diff --git a/tests/GeSbTe/bulk_Te_Pmcm/COMPUTATIONAL_COST b/testingframework/tests/GeSbTe/bulk_Te_Pmcm/COMPUTATIONAL_COST
similarity index 100%
rename from tests/GeSbTe/bulk_Te_Pmcm/COMPUTATIONAL_COST
rename to testingframework/tests/GeSbTe/bulk_Te_Pmcm/COMPUTATIONAL_COST
diff --git a/tests/GeSbTe/bulk_Te_Pmcm/Te_mp-105_primitive.cif b/testingframework/tests/GeSbTe/bulk_Te_Pmcm/Te_mp-105_primitive.cif
similarity index 100%
rename from tests/GeSbTe/bulk_Te_Pmcm/Te_mp-105_primitive.cif
rename to testingframework/tests/GeSbTe/bulk_Te_Pmcm/Te_mp-105_primitive.cif
diff --git a/tests/GeSbTe/bulk_Te_Pmcm/bulk.xyz b/testingframework/tests/GeSbTe/bulk_Te_Pmcm/bulk.xyz
similarity index 100%
rename from tests/GeSbTe/bulk_Te_Pmcm/bulk.xyz
rename to testingframework/tests/GeSbTe/bulk_Te_Pmcm/bulk.xyz
diff --git a/testingframework/tests/GeSbTe/bulk_Te_Pmcm/test.py b/testingframework/tests/GeSbTe/bulk_Te_Pmcm/test.py
new file mode 100644
index 000000000..68a4298f4
--- /dev/null
+++ b/testingframework/tests/GeSbTe/bulk_Te_Pmcm/test.py
@@ -0,0 +1,5 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(
+ os.path.abspath(os.path.dirname(__file__)), "orthorhombic"
+)
diff --git a/tests/GeSbTe/chemical_order_GeTe_Fm-3m/COMPUTATIONAL_COST b/testingframework/tests/GeSbTe/chemical_order_GeTe_Fm-3m/COMPUTATIONAL_COST
similarity index 100%
rename from tests/GeSbTe/chemical_order_GeTe_Fm-3m/COMPUTATIONAL_COST
rename to testingframework/tests/GeSbTe/chemical_order_GeTe_Fm-3m/COMPUTATIONAL_COST
diff --git a/tests/GeSbTe/chemical_order_GeTe_Fm-3m/bulk.xyz b/testingframework/tests/GeSbTe/chemical_order_GeTe_Fm-3m/bulk.xyz
similarity index 100%
rename from tests/GeSbTe/chemical_order_GeTe_Fm-3m/bulk.xyz
rename to testingframework/tests/GeSbTe/chemical_order_GeTe_Fm-3m/bulk.xyz
diff --git a/testingframework/tests/GeSbTe/chemical_order_GeTe_Fm-3m/test.py b/testingframework/tests/GeSbTe/chemical_order_GeTe_Fm-3m/test.py
new file mode 100644
index 000000000..fdb27e7e6
--- /dev/null
+++ b/testingframework/tests/GeSbTe/chemical_order_GeTe_Fm-3m/test.py
@@ -0,0 +1,44 @@
+import os.path, ase.io
+from testingframework.share.utilities import relax_config, run_root
+import random, sys, model
+
+test_dir = os.path.abspath(os.path.dirname(__file__))
+
+bulk = ase.io.read(os.path.join(test_dir, "bulk.xyz"), format="extxyz")
+tol = 1.0e-3
+relaxed_bulk = relax_config(
+ bulk,
+ relax_pos=True,
+ relax_cell=True,
+ tol=tol,
+ traj_file=None,
+ config_label="bulk",
+ from_base_model=True,
+ save_config=True,
+ keep_symmetry=True,
+)
+relaxed_bulk_pe = relaxed_bulk.get_potential_energy() / len(relaxed_bulk)
+ase.io.write(sys.stdout, relaxed_bulk, format="extxyz")
+
+tol = 2.0e-3 # hack to work around convergence issues
+antisites = relaxed_bulk * (2, 2, 2)
+
+random.seed(10)
+unrelaxed_energies = []
+relaxed_energies = []
+for config_i in range(20):
+ Z = antisites.get_atomic_numbers()
+ (i1, i2) = random.sample(range(len(antisites)), 2)
+ while Z[i1] == Z[i2]:
+ (i1, i2) = random.sample(range(len(antisites)), 2)
+ t_Z = Z[i1]
+ Z[i1] = Z[i2]
+ Z[i2] = t_Z
+ antisites.set_atomic_numbers(Z)
+ ase.io.write(sys.stdout, antisites, format="extxyz")
+ antisites.set_calculator(model.calculator)
+ unrelaxed_energies.append(
+ antisites.get_potential_energy() / len(antisites) - relaxed_bulk_pe
+ )
+
+properties = {"unrelaxed_energy_per_atom": unrelaxed_energies}
diff --git a/tests/GeSbTe/chemical_order_GeTe_R3m/COMPUTATIONAL_COST b/testingframework/tests/GeSbTe/chemical_order_GeTe_R3m/COMPUTATIONAL_COST
similarity index 100%
rename from tests/GeSbTe/chemical_order_GeTe_R3m/COMPUTATIONAL_COST
rename to testingframework/tests/GeSbTe/chemical_order_GeTe_R3m/COMPUTATIONAL_COST
diff --git a/tests/GeSbTe/chemical_order_GeTe_R3m/bulk.xyz b/testingframework/tests/GeSbTe/chemical_order_GeTe_R3m/bulk.xyz
similarity index 100%
rename from tests/GeSbTe/chemical_order_GeTe_R3m/bulk.xyz
rename to testingframework/tests/GeSbTe/chemical_order_GeTe_R3m/bulk.xyz
diff --git a/testingframework/tests/GeSbTe/chemical_order_GeTe_R3m/test.py b/testingframework/tests/GeSbTe/chemical_order_GeTe_R3m/test.py
new file mode 100644
index 000000000..ce87893ab
--- /dev/null
+++ b/testingframework/tests/GeSbTe/chemical_order_GeTe_R3m/test.py
@@ -0,0 +1,62 @@
+import os.path, ase.io
+from testingframework.share.utilities import relax_config, run_root
+import random, sys, model
+
+test_dir = os.path.abspath(os.path.dirname(__file__))
+
+bulk = ase.io.read(os.path.join(test_dir, "bulk.xyz"), format="extxyz")
+tol = 1.0e-3
+relaxed_bulk = relax_config(
+ bulk,
+ relax_pos=True,
+ relax_cell=True,
+ tol=tol,
+ traj_file=None,
+ config_label="bulk",
+ from_base_model=True,
+ save_config=True,
+ keep_symmetry=True,
+)
+relaxed_bulk_pe = relaxed_bulk.get_potential_energy() / len(relaxed_bulk)
+ase.io.write(sys.stdout, relaxed_bulk, format="extxyz")
+
+tol = 1.0e-2 # hack to work around convergence issues
+antisites = relaxed_bulk * (2, 2, 2)
+
+random.seed(10)
+unrelaxed_energies = []
+relaxed_energies = []
+for config_i in range(20):
+ Z = antisites.get_atomic_numbers()
+ (i1, i2) = random.sample(range(len(antisites)), 2)
+ while Z[i1] == Z[i2]:
+ (i1, i2) = random.sample(range(len(antisites)), 2)
+ t_Z = Z[i1]
+ Z[i1] = Z[i2]
+ Z[i2] = t_Z
+ antisites.set_atomic_numbers(Z)
+ ase.io.write(sys.stdout, antisites, format="extxyz")
+ antisites.set_calculator(model.calculator)
+ unrelaxed_energies.append(
+ antisites.get_potential_energy() / len(antisites) - relaxed_bulk_pe
+ )
+ relaxed_antisites = antisites.copy()
+ relaxed_antisites = relax_config(
+ relaxed_antisites,
+ relax_pos=True,
+ relax_cell=True,
+ tol=tol,
+ traj_file=None,
+ config_label="supercell_antisite_{}".format(config_i),
+ from_base_model=True,
+ save_config=True,
+ )
+ relaxed_energies.append(
+ relaxed_antisites.get_potential_energy() / len(antisites) - relaxed_bulk_pe
+ )
+ ase.io.write(sys.stdout, relaxed_antisites, format="extxyz")
+
+properties = {
+ "unrelaxed_energy_per_atom": unrelaxed_energies,
+ "relaxed_energy_per_atom": relaxed_energies,
+}
diff --git a/tests/GeSbTe/point_defect_Ge2Sb2Te5_P1_Kooi_vacancy/COMPUTATIONAL_COST b/testingframework/tests/GeSbTe/point_defect_Ge2Sb2Te5_P1_Kooi_vacancy/COMPUTATIONAL_COST
similarity index 100%
rename from tests/GeSbTe/point_defect_Ge2Sb2Te5_P1_Kooi_vacancy/COMPUTATIONAL_COST
rename to testingframework/tests/GeSbTe/point_defect_Ge2Sb2Te5_P1_Kooi_vacancy/COMPUTATIONAL_COST
diff --git a/tests/GeSbTe/point_defect_Ge2Sb2Te5_P1_Kooi_vacancy/GeSbTe-model-VASP_kp_0.20_encut_400_addgrid-test-bulk_Ge2Sb2Te5_P1_Kooi-bulk-relaxed.supercell.xyz b/testingframework/tests/GeSbTe/point_defect_Ge2Sb2Te5_P1_Kooi_vacancy/GeSbTe-model-VASP_kp_0.20_encut_400_addgrid-test-bulk_Ge2Sb2Te5_P1_Kooi-bulk-relaxed.supercell.xyz
similarity index 100%
rename from tests/GeSbTe/point_defect_Ge2Sb2Te5_P1_Kooi_vacancy/GeSbTe-model-VASP_kp_0.20_encut_400_addgrid-test-bulk_Ge2Sb2Te5_P1_Kooi-bulk-relaxed.supercell.xyz
rename to testingframework/tests/GeSbTe/point_defect_Ge2Sb2Te5_P1_Kooi_vacancy/GeSbTe-model-VASP_kp_0.20_encut_400_addgrid-test-bulk_Ge2Sb2Te5_P1_Kooi-bulk-relaxed.supercell.xyz
diff --git a/tests/GeSbTe/point_defect_Ge2Sb2Te5_P1_Kooi_vacancy/bulk_supercell.orig.xyz b/testingframework/tests/GeSbTe/point_defect_Ge2Sb2Te5_P1_Kooi_vacancy/bulk_supercell.orig.xyz
similarity index 100%
rename from tests/GeSbTe/point_defect_Ge2Sb2Te5_P1_Kooi_vacancy/bulk_supercell.orig.xyz
rename to testingframework/tests/GeSbTe/point_defect_Ge2Sb2Te5_P1_Kooi_vacancy/bulk_supercell.orig.xyz
diff --git a/tests/GeSbTe/point_defect_Ge2Sb2Te5_P1_Kooi_vacancy/bulk_supercell.xyz b/testingframework/tests/GeSbTe/point_defect_Ge2Sb2Te5_P1_Kooi_vacancy/bulk_supercell.xyz
similarity index 100%
rename from tests/GeSbTe/point_defect_Ge2Sb2Te5_P1_Kooi_vacancy/bulk_supercell.xyz
rename to testingframework/tests/GeSbTe/point_defect_Ge2Sb2Te5_P1_Kooi_vacancy/bulk_supercell.xyz
diff --git a/tests/GeSbTe/point_defect_Ge2Sb2Te5_P1_Kooi_vacancy/test.py b/testingframework/tests/GeSbTe/point_defect_Ge2Sb2Te5_P1_Kooi_vacancy/test.py
similarity index 100%
rename from tests/GeSbTe/point_defect_Ge2Sb2Te5_P1_Kooi_vacancy/test.py
rename to testingframework/tests/GeSbTe/point_defect_Ge2Sb2Te5_P1_Kooi_vacancy/test.py
diff --git a/tests/GeSbTe/point_defect_GeTe_Fm-3m_vacancy/COMPUTATIONAL_COST b/testingframework/tests/GeSbTe/point_defect_GeTe_Fm-3m_vacancy/COMPUTATIONAL_COST
similarity index 100%
rename from tests/GeSbTe/point_defect_GeTe_Fm-3m_vacancy/COMPUTATIONAL_COST
rename to testingframework/tests/GeSbTe/point_defect_GeTe_Fm-3m_vacancy/COMPUTATIONAL_COST
diff --git a/tests/GeSbTe/point_defect_GeTe_Fm-3m_vacancy/bulk_supercell.VASP_kp_0.20_encut_400_addgrid.relaxed.xyz b/testingframework/tests/GeSbTe/point_defect_GeTe_Fm-3m_vacancy/bulk_supercell.VASP_kp_0.20_encut_400_addgrid.relaxed.xyz
similarity index 100%
rename from tests/GeSbTe/point_defect_GeTe_Fm-3m_vacancy/bulk_supercell.VASP_kp_0.20_encut_400_addgrid.relaxed.xyz
rename to testingframework/tests/GeSbTe/point_defect_GeTe_Fm-3m_vacancy/bulk_supercell.VASP_kp_0.20_encut_400_addgrid.relaxed.xyz
diff --git a/tests/GeSbTe/point_defect_GeTe_Fm-3m_vacancy/bulk_supercell.orig.xyz b/testingframework/tests/GeSbTe/point_defect_GeTe_Fm-3m_vacancy/bulk_supercell.orig.xyz
similarity index 100%
rename from tests/GeSbTe/point_defect_GeTe_Fm-3m_vacancy/bulk_supercell.orig.xyz
rename to testingframework/tests/GeSbTe/point_defect_GeTe_Fm-3m_vacancy/bulk_supercell.orig.xyz
diff --git a/tests/GeSbTe/point_defect_GeTe_Fm-3m_vacancy/bulk_supercell.xyz b/testingframework/tests/GeSbTe/point_defect_GeTe_Fm-3m_vacancy/bulk_supercell.xyz
similarity index 100%
rename from tests/GeSbTe/point_defect_GeTe_Fm-3m_vacancy/bulk_supercell.xyz
rename to testingframework/tests/GeSbTe/point_defect_GeTe_Fm-3m_vacancy/bulk_supercell.xyz
diff --git a/tests/GeSbTe/point_defect_GeTe_Fm-3m_vacancy/test.py b/testingframework/tests/GeSbTe/point_defect_GeTe_Fm-3m_vacancy/test.py
similarity index 100%
rename from tests/GeSbTe/point_defect_GeTe_Fm-3m_vacancy/test.py
rename to testingframework/tests/GeSbTe/point_defect_GeTe_Fm-3m_vacancy/test.py
diff --git a/tests/GeSbTe/point_defect_GeTe_R3m_vacancy/COMPUTATIONAL_COST b/testingframework/tests/GeSbTe/point_defect_GeTe_R3m_vacancy/COMPUTATIONAL_COST
similarity index 100%
rename from tests/GeSbTe/point_defect_GeTe_R3m_vacancy/COMPUTATIONAL_COST
rename to testingframework/tests/GeSbTe/point_defect_GeTe_R3m_vacancy/COMPUTATIONAL_COST
diff --git a/tests/GeSbTe/point_defect_GeTe_R3m_vacancy/bulk_supercell.VASP_kp_0.20_encut_400_addgrid.relaxed.xyz b/testingframework/tests/GeSbTe/point_defect_GeTe_R3m_vacancy/bulk_supercell.VASP_kp_0.20_encut_400_addgrid.relaxed.xyz
similarity index 100%
rename from tests/GeSbTe/point_defect_GeTe_R3m_vacancy/bulk_supercell.VASP_kp_0.20_encut_400_addgrid.relaxed.xyz
rename to testingframework/tests/GeSbTe/point_defect_GeTe_R3m_vacancy/bulk_supercell.VASP_kp_0.20_encut_400_addgrid.relaxed.xyz
diff --git a/tests/GeSbTe/point_defect_GeTe_R3m_vacancy/bulk_supercell.orig.xyz b/testingframework/tests/GeSbTe/point_defect_GeTe_R3m_vacancy/bulk_supercell.orig.xyz
similarity index 100%
rename from tests/GeSbTe/point_defect_GeTe_R3m_vacancy/bulk_supercell.orig.xyz
rename to testingframework/tests/GeSbTe/point_defect_GeTe_R3m_vacancy/bulk_supercell.orig.xyz
diff --git a/tests/GeSbTe/point_defect_GeTe_R3m_vacancy/bulk_supercell.xyz b/testingframework/tests/GeSbTe/point_defect_GeTe_R3m_vacancy/bulk_supercell.xyz
similarity index 100%
rename from tests/GeSbTe/point_defect_GeTe_R3m_vacancy/bulk_supercell.xyz
rename to testingframework/tests/GeSbTe/point_defect_GeTe_R3m_vacancy/bulk_supercell.xyz
diff --git a/tests/GeSbTe/point_defect_GeTe_R3m_vacancy/test.py b/testingframework/tests/GeSbTe/point_defect_GeTe_R3m_vacancy/test.py
similarity index 100%
rename from tests/GeSbTe/point_defect_GeTe_R3m_vacancy/test.py
rename to testingframework/tests/GeSbTe/point_defect_GeTe_R3m_vacancy/test.py
diff --git a/tests/GeSbTe/point_defect_Sb2Te3_R-3m_vacancy/COMPUTATIONAL_COST b/testingframework/tests/GeSbTe/point_defect_Sb2Te3_R-3m_vacancy/COMPUTATIONAL_COST
similarity index 100%
rename from tests/GeSbTe/point_defect_Sb2Te3_R-3m_vacancy/COMPUTATIONAL_COST
rename to testingframework/tests/GeSbTe/point_defect_Sb2Te3_R-3m_vacancy/COMPUTATIONAL_COST
diff --git a/tests/GeSbTe/point_defect_Sb2Te3_R-3m_vacancy/GeSbTe-model-VASP_kp_0.20_encut_400_addgrid-test-bulk_Sb2Te3_R-3m-bulk-relaxed.supercell.xyz b/testingframework/tests/GeSbTe/point_defect_Sb2Te3_R-3m_vacancy/GeSbTe-model-VASP_kp_0.20_encut_400_addgrid-test-bulk_Sb2Te3_R-3m-bulk-relaxed.supercell.xyz
similarity index 100%
rename from tests/GeSbTe/point_defect_Sb2Te3_R-3m_vacancy/GeSbTe-model-VASP_kp_0.20_encut_400_addgrid-test-bulk_Sb2Te3_R-3m-bulk-relaxed.supercell.xyz
rename to testingframework/tests/GeSbTe/point_defect_Sb2Te3_R-3m_vacancy/GeSbTe-model-VASP_kp_0.20_encut_400_addgrid-test-bulk_Sb2Te3_R-3m-bulk-relaxed.supercell.xyz
diff --git a/tests/GeSbTe/point_defect_Sb2Te3_R-3m_vacancy/bulk_supercell.orig.xyz b/testingframework/tests/GeSbTe/point_defect_Sb2Te3_R-3m_vacancy/bulk_supercell.orig.xyz
similarity index 100%
rename from tests/GeSbTe/point_defect_Sb2Te3_R-3m_vacancy/bulk_supercell.orig.xyz
rename to testingframework/tests/GeSbTe/point_defect_Sb2Te3_R-3m_vacancy/bulk_supercell.orig.xyz
diff --git a/tests/GeSbTe/point_defect_Sb2Te3_R-3m_vacancy/bulk_supercell.xyz b/testingframework/tests/GeSbTe/point_defect_Sb2Te3_R-3m_vacancy/bulk_supercell.xyz
similarity index 100%
rename from tests/GeSbTe/point_defect_Sb2Te3_R-3m_vacancy/bulk_supercell.xyz
rename to testingframework/tests/GeSbTe/point_defect_Sb2Te3_R-3m_vacancy/bulk_supercell.xyz
diff --git a/tests/GeSbTe/point_defect_Sb2Te3_R-3m_vacancy/test.py b/testingframework/tests/GeSbTe/point_defect_Sb2Te3_R-3m_vacancy/test.py
similarity index 100%
rename from tests/GeSbTe/point_defect_Sb2Te3_R-3m_vacancy/test.py
rename to testingframework/tests/GeSbTe/point_defect_Sb2Te3_R-3m_vacancy/test.py
diff --git a/tests/GeSbTe/surface_GeTe_Fm-3m_111_SSV-2.Te/COMPUTATIONAL_COST b/testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_SSV-2.Te/COMPUTATIONAL_COST
similarity index 100%
rename from tests/GeSbTe/surface_GeTe_Fm-3m_111_SSV-2.Te/COMPUTATIONAL_COST
rename to testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_SSV-2.Te/COMPUTATIONAL_COST
diff --git a/tests/GeSbTe/surface_GeTe_Fm-3m_111_SSV-2.Te/POSCAR.GeTe111.SSV-2.Te.POSCAR b/testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_SSV-2.Te/POSCAR.GeTe111.SSV-2.Te.POSCAR
similarity index 100%
rename from tests/GeSbTe/surface_GeTe_Fm-3m_111_SSV-2.Te/POSCAR.GeTe111.SSV-2.Te.POSCAR
rename to testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_SSV-2.Te/POSCAR.GeTe111.SSV-2.Te.POSCAR
diff --git a/tests/GeSbTe/surface_GeTe_Fm-3m_111_SSV-2.Te/surface.xyz b/testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_SSV-2.Te/surface.xyz
similarity index 100%
rename from tests/GeSbTe/surface_GeTe_Fm-3m_111_SSV-2.Te/surface.xyz
rename to testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_SSV-2.Te/surface.xyz
diff --git a/tests/GeSbTe/surface_GeTe_Fm-3m_111_SSV-2.Te/test.py b/testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_SSV-2.Te/test.py
similarity index 100%
rename from tests/GeSbTe/surface_GeTe_Fm-3m_111_SSV-2.Te/test.py
rename to testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_SSV-2.Te/test.py
diff --git a/tests/GeSbTe/surface_GeTe_Fm-3m_111_SSV-4.Te/COMPUTATIONAL_COST b/testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_SSV-4.Te/COMPUTATIONAL_COST
similarity index 100%
rename from tests/GeSbTe/surface_GeTe_Fm-3m_111_SSV-4.Te/COMPUTATIONAL_COST
rename to testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_SSV-4.Te/COMPUTATIONAL_COST
diff --git a/tests/GeSbTe/surface_GeTe_Fm-3m_111_SSV-4.Te/POSCAR.GeTe111.SSV-4.Te.POSCAR b/testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_SSV-4.Te/POSCAR.GeTe111.SSV-4.Te.POSCAR
similarity index 100%
rename from tests/GeSbTe/surface_GeTe_Fm-3m_111_SSV-4.Te/POSCAR.GeTe111.SSV-4.Te.POSCAR
rename to testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_SSV-4.Te/POSCAR.GeTe111.SSV-4.Te.POSCAR
diff --git a/tests/GeSbTe/surface_GeTe_Fm-3m_111_SSV-4.Te/surface.xyz b/testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_SSV-4.Te/surface.xyz
similarity index 100%
rename from tests/GeSbTe/surface_GeTe_Fm-3m_111_SSV-4.Te/surface.xyz
rename to testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_SSV-4.Te/surface.xyz
diff --git a/tests/GeSbTe/surface_GeTe_Fm-3m_111_SSV-4.Te/test.py b/testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_SSV-4.Te/test.py
similarity index 100%
rename from tests/GeSbTe/surface_GeTe_Fm-3m_111_SSV-4.Te/test.py
rename to testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_SSV-4.Te/test.py
diff --git a/tests/GeSbTe/surface_GeTe_Fm-3m_111_alpha_Ge/COMPUTATIONAL_COST b/testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_alpha_Ge/COMPUTATIONAL_COST
similarity index 100%
rename from tests/GeSbTe/surface_GeTe_Fm-3m_111_alpha_Ge/COMPUTATIONAL_COST
rename to testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_alpha_Ge/COMPUTATIONAL_COST
diff --git a/tests/GeSbTe/surface_GeTe_Fm-3m_111_alpha_Ge/POSCAR.GeTe111.alpha_Ge.POSCAR b/testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_alpha_Ge/POSCAR.GeTe111.alpha_Ge.POSCAR
similarity index 100%
rename from tests/GeSbTe/surface_GeTe_Fm-3m_111_alpha_Ge/POSCAR.GeTe111.alpha_Ge.POSCAR
rename to testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_alpha_Ge/POSCAR.GeTe111.alpha_Ge.POSCAR
diff --git a/tests/GeSbTe/surface_GeTe_Fm-3m_111_alpha_Ge/surface.xyz b/testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_alpha_Ge/surface.xyz
similarity index 100%
rename from tests/GeSbTe/surface_GeTe_Fm-3m_111_alpha_Ge/surface.xyz
rename to testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_alpha_Ge/surface.xyz
diff --git a/tests/GeSbTe/surface_GeTe_Fm-3m_111_alpha_Ge/test.py b/testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_alpha_Ge/test.py
similarity index 100%
rename from tests/GeSbTe/surface_GeTe_Fm-3m_111_alpha_Ge/test.py
rename to testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_alpha_Ge/test.py
diff --git a/tests/GeSbTe/surface_GeTe_Fm-3m_111_alpha_Te/COMPUTATIONAL_COST b/testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_alpha_Te/COMPUTATIONAL_COST
similarity index 100%
rename from tests/GeSbTe/surface_GeTe_Fm-3m_111_alpha_Te/COMPUTATIONAL_COST
rename to testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_alpha_Te/COMPUTATIONAL_COST
diff --git a/tests/GeSbTe/surface_GeTe_Fm-3m_111_alpha_Te/POSCAR.GeTe111.alpha_Te.POSCAR b/testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_alpha_Te/POSCAR.GeTe111.alpha_Te.POSCAR
similarity index 100%
rename from tests/GeSbTe/surface_GeTe_Fm-3m_111_alpha_Te/POSCAR.GeTe111.alpha_Te.POSCAR
rename to testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_alpha_Te/POSCAR.GeTe111.alpha_Te.POSCAR
diff --git a/tests/GeSbTe/surface_GeTe_Fm-3m_111_alpha_Te/surface.xyz b/testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_alpha_Te/surface.xyz
similarity index 100%
rename from tests/GeSbTe/surface_GeTe_Fm-3m_111_alpha_Te/surface.xyz
rename to testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_alpha_Te/surface.xyz
diff --git a/tests/GeSbTe/surface_GeTe_Fm-3m_111_alpha_Te/test.py b/testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_alpha_Te/test.py
similarity index 100%
rename from tests/GeSbTe/surface_GeTe_Fm-3m_111_alpha_Te/test.py
rename to testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_alpha_Te/test.py
diff --git a/tests/GeSbTe/surface_GeTe_Fm-3m_111_oct_Ge/COMPUTATIONAL_COST b/testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_oct_Ge/COMPUTATIONAL_COST
similarity index 100%
rename from tests/GeSbTe/surface_GeTe_Fm-3m_111_oct_Ge/COMPUTATIONAL_COST
rename to testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_oct_Ge/COMPUTATIONAL_COST
diff --git a/tests/GeSbTe/surface_GeTe_Fm-3m_111_oct_Ge/POSCAR.GeTe111.oct_Ge.POSCAR b/testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_oct_Ge/POSCAR.GeTe111.oct_Ge.POSCAR
similarity index 100%
rename from tests/GeSbTe/surface_GeTe_Fm-3m_111_oct_Ge/POSCAR.GeTe111.oct_Ge.POSCAR
rename to testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_oct_Ge/POSCAR.GeTe111.oct_Ge.POSCAR
diff --git a/tests/GeSbTe/surface_GeTe_Fm-3m_111_oct_Ge/surface.xyz b/testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_oct_Ge/surface.xyz
similarity index 100%
rename from tests/GeSbTe/surface_GeTe_Fm-3m_111_oct_Ge/surface.xyz
rename to testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_oct_Ge/surface.xyz
diff --git a/tests/GeSbTe/surface_GeTe_Fm-3m_111_oct_Ge/test.py b/testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_oct_Ge/test.py
similarity index 100%
rename from tests/GeSbTe/surface_GeTe_Fm-3m_111_oct_Ge/test.py
rename to testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_oct_Ge/test.py
diff --git a/tests/GeSbTe/surface_GeTe_Fm-3m_111_oct_Te/COMPUTATIONAL_COST b/testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_oct_Te/COMPUTATIONAL_COST
similarity index 100%
rename from tests/GeSbTe/surface_GeTe_Fm-3m_111_oct_Te/COMPUTATIONAL_COST
rename to testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_oct_Te/COMPUTATIONAL_COST
diff --git a/tests/GeSbTe/surface_GeTe_Fm-3m_111_oct_Te/POSCAR.GeTe111.oct_Te.POSCAR b/testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_oct_Te/POSCAR.GeTe111.oct_Te.POSCAR
similarity index 100%
rename from tests/GeSbTe/surface_GeTe_Fm-3m_111_oct_Te/POSCAR.GeTe111.oct_Te.POSCAR
rename to testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_oct_Te/POSCAR.GeTe111.oct_Te.POSCAR
diff --git a/tests/GeSbTe/surface_GeTe_Fm-3m_111_oct_Te/surface.xyz b/testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_oct_Te/surface.xyz
similarity index 100%
rename from tests/GeSbTe/surface_GeTe_Fm-3m_111_oct_Te/surface.xyz
rename to testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_oct_Te/surface.xyz
diff --git a/tests/GeSbTe/surface_GeTe_Fm-3m_111_oct_Te/test.py b/testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_oct_Te/test.py
similarity index 100%
rename from tests/GeSbTe/surface_GeTe_Fm-3m_111_oct_Te/test.py
rename to testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_oct_Te/test.py
diff --git a/tests/GeSbTe/surface_GeTe_Fm-3m_111_prist_Ge/COMPUTATIONAL_COST b/testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_prist_Ge/COMPUTATIONAL_COST
similarity index 100%
rename from tests/GeSbTe/surface_GeTe_Fm-3m_111_prist_Ge/COMPUTATIONAL_COST
rename to testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_prist_Ge/COMPUTATIONAL_COST
diff --git a/tests/GeSbTe/surface_GeTe_Fm-3m_111_prist_Ge/POSCAR.GeTe111.prist_Ge.POSCAR b/testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_prist_Ge/POSCAR.GeTe111.prist_Ge.POSCAR
similarity index 100%
rename from tests/GeSbTe/surface_GeTe_Fm-3m_111_prist_Ge/POSCAR.GeTe111.prist_Ge.POSCAR
rename to testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_prist_Ge/POSCAR.GeTe111.prist_Ge.POSCAR
diff --git a/tests/GeSbTe/surface_GeTe_Fm-3m_111_prist_Ge/surface.xyz b/testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_prist_Ge/surface.xyz
similarity index 100%
rename from tests/GeSbTe/surface_GeTe_Fm-3m_111_prist_Ge/surface.xyz
rename to testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_prist_Ge/surface.xyz
diff --git a/tests/GeSbTe/surface_GeTe_Fm-3m_111_prist_Ge/test.py b/testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_prist_Ge/test.py
similarity index 100%
rename from tests/GeSbTe/surface_GeTe_Fm-3m_111_prist_Ge/test.py
rename to testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_prist_Ge/test.py
diff --git a/tests/GeSbTe/surface_GeTe_Fm-3m_111_prist_Te/COMPUTATIONAL_COST b/testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_prist_Te/COMPUTATIONAL_COST
similarity index 100%
rename from tests/GeSbTe/surface_GeTe_Fm-3m_111_prist_Te/COMPUTATIONAL_COST
rename to testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_prist_Te/COMPUTATIONAL_COST
diff --git a/tests/GeSbTe/surface_GeTe_Fm-3m_111_prist_Te/POSCAR.GeTe111.prist_Te.POSCAR b/testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_prist_Te/POSCAR.GeTe111.prist_Te.POSCAR
similarity index 100%
rename from tests/GeSbTe/surface_GeTe_Fm-3m_111_prist_Te/POSCAR.GeTe111.prist_Te.POSCAR
rename to testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_prist_Te/POSCAR.GeTe111.prist_Te.POSCAR
diff --git a/tests/GeSbTe/surface_GeTe_Fm-3m_111_prist_Te/surface.xyz b/testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_prist_Te/surface.xyz
similarity index 100%
rename from tests/GeSbTe/surface_GeTe_Fm-3m_111_prist_Te/surface.xyz
rename to testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_prist_Te/surface.xyz
diff --git a/tests/GeSbTe/surface_GeTe_Fm-3m_111_prist_Te/test.py b/testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_prist_Te/test.py
similarity index 100%
rename from tests/GeSbTe/surface_GeTe_Fm-3m_111_prist_Te/test.py
rename to testingframework/tests/GeSbTe/surface_GeTe_Fm-3m_111_prist_Te/test.py
diff --git a/testingframework/tests/Li/phonon_bulks/test.py b/testingframework/tests/Li/phonon_bulks/test.py
new file mode 100644
index 000000000..62e94bc23
--- /dev/null
+++ b/testingframework/tests/Li/phonon_bulks/test.py
@@ -0,0 +1,5 @@
+from phonons import *
+
+properties = do_phonons(
+ ["bulk_Li_fcc", "bulk_Li_bcc"], n_supercell=6, band_paths=["GXKGL", "NGHPG"]
+)
diff --git a/tests/P/EFV_test/Hittorf_ActaB1969_isolated_layer.xyz b/testingframework/tests/P/EFV_test/Hittorf_ActaB1969_isolated_layer.xyz
similarity index 100%
rename from tests/P/EFV_test/Hittorf_ActaB1969_isolated_layer.xyz
rename to testingframework/tests/P/EFV_test/Hittorf_ActaB1969_isolated_layer.xyz
diff --git a/tests/P/EFV_test/Hittorf_Angew2020_isolated_layer.xyz b/testingframework/tests/P/EFV_test/Hittorf_Angew2020_isolated_layer.xyz
similarity index 100%
rename from tests/P/EFV_test/Hittorf_Angew2020_isolated_layer.xyz
rename to testingframework/tests/P/EFV_test/Hittorf_Angew2020_isolated_layer.xyz
diff --git a/tests/P/EFV_test/P_test_set.xyz b/testingframework/tests/P/EFV_test/P_test_set.xyz
similarity index 100%
rename from tests/P/EFV_test/P_test_set.xyz
rename to testingframework/tests/P/EFV_test/P_test_set.xyz
diff --git a/tests/P/EFV_test/phosphorene_ribbon_armchair.xyz b/testingframework/tests/P/EFV_test/phosphorene_ribbon_armchair.xyz
similarity index 100%
rename from tests/P/EFV_test/phosphorene_ribbon_armchair.xyz
rename to testingframework/tests/P/EFV_test/phosphorene_ribbon_armchair.xyz
diff --git a/tests/P/EFV_test/phosphorene_ribbon_single_layer.xyz b/testingframework/tests/P/EFV_test/phosphorene_ribbon_single_layer.xyz
similarity index 100%
rename from tests/P/EFV_test/phosphorene_ribbon_single_layer.xyz
rename to testingframework/tests/P/EFV_test/phosphorene_ribbon_single_layer.xyz
diff --git a/tests/P/EFV_test/phosphorene_ribbon_zigzag.xyz b/testingframework/tests/P/EFV_test/phosphorene_ribbon_zigzag.xyz
similarity index 100%
rename from tests/P/EFV_test/phosphorene_ribbon_zigzag.xyz
rename to testingframework/tests/P/EFV_test/phosphorene_ribbon_zigzag.xyz
diff --git a/testingframework/tests/P/EFV_test/test.py b/testingframework/tests/P/EFV_test/test.py
new file mode 100644
index 000000000..f67fac48d
--- /dev/null
+++ b/testingframework/tests/P/EFV_test/test.py
@@ -0,0 +1,15 @@
+from testingframework.share.utilities import path_of_file, evaluate_file
+
+filenamelist = [
+ "P_test_set.xyz",
+ "Hittorf_ActaB1969_isolated_layer.xyz",
+ "Hittorf_Angew2020_isolated_layer.xyz",
+ "phosphorene_ribbon_armchair.xyz",
+ "phosphorene_ribbon_zigzag.xyz",
+ "phosphorene_ribbon_single_layer.xyz",
+]
+
+for filename in filenamelist:
+ evaluate_file(path_of_file(__file__) + "/" + filename)
+
+properties = {"files": filenamelist}
diff --git a/tests/P/Hittorf_exfoliation/Hittorf_ActaB1969.vasp_STEPS.xyz b/testingframework/tests/P/Hittorf_exfoliation/Hittorf_ActaB1969.vasp_STEPS.xyz
similarity index 100%
rename from tests/P/Hittorf_exfoliation/Hittorf_ActaB1969.vasp_STEPS.xyz
rename to testingframework/tests/P/Hittorf_exfoliation/Hittorf_ActaB1969.vasp_STEPS.xyz
diff --git a/tests/P/Hittorf_exfoliation/Hittorf_Angew2020.vasp_STEPS.xyz b/testingframework/tests/P/Hittorf_exfoliation/Hittorf_Angew2020.vasp_STEPS.xyz
similarity index 100%
rename from tests/P/Hittorf_exfoliation/Hittorf_Angew2020.vasp_STEPS.xyz
rename to testingframework/tests/P/Hittorf_exfoliation/Hittorf_Angew2020.vasp_STEPS.xyz
diff --git a/tests/P/Hittorf_exfoliation/Hittorf_scan_ActaB1969_mbd.xyz b/testingframework/tests/P/Hittorf_exfoliation/Hittorf_scan_ActaB1969_mbd.xyz
similarity index 100%
rename from tests/P/Hittorf_exfoliation/Hittorf_scan_ActaB1969_mbd.xyz
rename to testingframework/tests/P/Hittorf_exfoliation/Hittorf_scan_ActaB1969_mbd.xyz
diff --git a/tests/P/Hittorf_exfoliation/Hittorf_scan_Angew2020_mbd.xyz b/testingframework/tests/P/Hittorf_exfoliation/Hittorf_scan_Angew2020_mbd.xyz
similarity index 100%
rename from tests/P/Hittorf_exfoliation/Hittorf_scan_Angew2020_mbd.xyz
rename to testingframework/tests/P/Hittorf_exfoliation/Hittorf_scan_Angew2020_mbd.xyz
diff --git a/testingframework/tests/P/Hittorf_exfoliation/test.py b/testingframework/tests/P/Hittorf_exfoliation/test.py
new file mode 100644
index 000000000..d1078d290
--- /dev/null
+++ b/testingframework/tests/P/Hittorf_exfoliation/test.py
@@ -0,0 +1,13 @@
+from testingframework.share.utilities import path_of_file, evaluate_file
+
+filenamelist = [
+ "Hittorf_scan_ActaB1969_mbd.xyz",
+ "Hittorf_scan_Angew2020_mbd.xyz",
+ "Hittorf_ActaB1969.vasp_STEPS.xyz",
+ "Hittorf_Angew2020.vasp_STEPS.xyz",
+]
+
+for filename in filenamelist:
+ evaluate_file(path_of_file(__file__) + "/" + filename)
+
+properties = {"files": filenamelist}
diff --git a/tests/P/P4_scans/P2_dimer_scan_C2v_mbd.xyz b/testingframework/tests/P/P4_scans/P2_dimer_scan_C2v_mbd.xyz
similarity index 100%
rename from tests/P/P4_scans/P2_dimer_scan_C2v_mbd.xyz
rename to testingframework/tests/P/P4_scans/P2_dimer_scan_C2v_mbd.xyz
diff --git a/tests/P/P4_scans/P4_dimer_scan_C3v_mbd.xyz b/testingframework/tests/P/P4_scans/P4_dimer_scan_C3v_mbd.xyz
similarity index 100%
rename from tests/P/P4_scans/P4_dimer_scan_C3v_mbd.xyz
rename to testingframework/tests/P/P4_scans/P4_dimer_scan_C3v_mbd.xyz
diff --git a/tests/P/P4_scans/P4_dimer_scan_D3h_mbd.xyz b/testingframework/tests/P/P4_scans/P4_dimer_scan_D3h_mbd.xyz
similarity index 100%
rename from tests/P/P4_scans/P4_dimer_scan_D3h_mbd.xyz
rename to testingframework/tests/P/P4_scans/P4_dimer_scan_D3h_mbd.xyz
diff --git a/testingframework/tests/P/P4_scans/make_scans.py b/testingframework/tests/P/P4_scans/make_scans.py
new file mode 100644
index 000000000..5a6c0c22a
--- /dev/null
+++ b/testingframework/tests/P/P4_scans/make_scans.py
@@ -0,0 +1,66 @@
+#!/usr/bin/python2
+
+from quippy import *
+import numpy as np
+
+sc_size = 25.0 # size of supercell
+angle = np.radians(90.0)
+
+aa = AtomsList()
+
+for h in np.linspace(-1.0, 4.0, 101):
+ a = Atoms()
+ a.set_lattice(make_lattice(sc_size, sc_size, sc_size, angle, angle, angle))
+ f = 2.2 / 2.0
+ a.add_atoms([f, 0.0, -f / np.sqrt(2.0)], 15)
+ a.add_atoms([-f, 0.0, -f / np.sqrt(2.0)], 15)
+ a.add_atoms([0.0, f, f / np.sqrt(2.0) + h], 15)
+ a.add_atoms([0.0, -f, f / np.sqrt(2.0) + h], 15)
+ a.center()
+ aa.append(a)
+
+aa.write("P2_dimer_scan_C2v.xyz")
+
+aa = AtomsList()
+
+for h in np.linspace(0.0, 5.0, 101):
+ a = Atoms()
+ a.set_lattice(make_lattice(sc_size, sc_size, sc_size, angle, angle, angle))
+ f = 2.2 / np.sqrt(8.0 / 3)
+ d0 = f * 4.0 / 3 + 1.0
+ a.add_atoms([f * np.sqrt(8.0 / 9), 0.0, -f / 3], 15)
+ a.add_atoms([-f * np.sqrt(2.0 / 9), f * np.sqrt(2.0 / 3), -f / 3], 15)
+ a.add_atoms([-f * np.sqrt(2.0 / 9), -f * np.sqrt(2.0 / 3), -f / 3], 15)
+ a.add_atoms([0.0, 0.0, f], 15)
+
+ a.add_atoms([f * np.sqrt(8.0 / 9), 0.0, -f / 3 + d0 + h], 15)
+ a.add_atoms([-f * np.sqrt(2.0 / 9), f * np.sqrt(2.0 / 3), -f / 3 + d0 + h], 15)
+ a.add_atoms([-f * np.sqrt(2.0 / 9), -f * np.sqrt(2.0 / 3), -f / 3 + d0 + h], 15)
+ a.add_atoms([0.0, 0.0, f + d0 + h], 15)
+
+ a.center()
+ aa.append(a)
+
+aa.write("P4_dimer_scan_C3v.xyz")
+
+aa = AtomsList()
+
+for h in np.linspace(0.0, 5.0, 101):
+ a = Atoms()
+ a.set_lattice(make_lattice(sc_size, sc_size, sc_size, angle, angle, angle))
+ f = 2.2 / np.sqrt(8.0 / 3)
+ d0 = f * 2.0 / 3 + 1.0
+ a.add_atoms([f * np.sqrt(8.0 / 9), 0.0, f / 3], 15)
+ a.add_atoms([-f * np.sqrt(2.0 / 9), f * np.sqrt(2.0 / 3), f / 3], 15)
+ a.add_atoms([-f * np.sqrt(2.0 / 9), -f * np.sqrt(2.0 / 3), f / 3], 15)
+ a.add_atoms([0.0, 0.0, -f], 15)
+
+ a.add_atoms([f * np.sqrt(8.0 / 9), 0.0, -f / 3 + d0 + h], 15)
+ a.add_atoms([-f * np.sqrt(2.0 / 9), f * np.sqrt(2.0 / 3), -f / 3 + d0 + h], 15)
+ a.add_atoms([-f * np.sqrt(2.0 / 9), -f * np.sqrt(2.0 / 3), -f / 3 + d0 + h], 15)
+ a.add_atoms([0.0, 0.0, f + d0 + h], 15)
+
+ a.center()
+ aa.append(a)
+
+aa.write("P4_dimer_scan_D3h.xyz")
diff --git a/testingframework/tests/P/P4_scans/test.py b/testingframework/tests/P/P4_scans/test.py
new file mode 100644
index 000000000..5ce2a7a90
--- /dev/null
+++ b/testingframework/tests/P/P4_scans/test.py
@@ -0,0 +1,12 @@
+from testingframework.share.utilities import path_of_file, evaluate_file
+
+filenamelist = [
+ "P2_dimer_scan_C2v_mbd.xyz",
+ "P4_dimer_scan_C3v_mbd.xyz",
+ "P4_dimer_scan_D3h_mbd.xyz",
+]
+
+for filename in filenamelist:
+ evaluate_file(path_of_file(__file__) + "/" + filename)
+
+properties = {"files": filenamelist}
diff --git a/tests/P/black_exfoliation/exfoliation_mbd_reference.xyz b/testingframework/tests/P/black_exfoliation/exfoliation_mbd_reference.xyz
similarity index 100%
rename from tests/P/black_exfoliation/exfoliation_mbd_reference.xyz
rename to testingframework/tests/P/black_exfoliation/exfoliation_mbd_reference.xyz
diff --git a/testingframework/tests/P/black_exfoliation/test.py b/testingframework/tests/P/black_exfoliation/test.py
new file mode 100644
index 000000000..2ed66fce9
--- /dev/null
+++ b/testingframework/tests/P/black_exfoliation/test.py
@@ -0,0 +1,8 @@
+from testingframework.share.utilities import path_of_file, evaluate_file
+
+filenamelist = ["exfoliation_mbd_reference.xyz"]
+
+for filename in filenamelist:
+ evaluate_file(path_of_file(__file__) + "/" + filename)
+
+properties = {"files": filenamelist}
diff --git a/tests/P/bulk_Hittorf/bulk.xyz b/testingframework/tests/P/bulk_Hittorf/bulk.xyz
similarity index 100%
rename from tests/P/bulk_Hittorf/bulk.xyz
rename to testingframework/tests/P/bulk_Hittorf/bulk.xyz
diff --git a/testingframework/tests/P/bulk_Hittorf/test.py b/testingframework/tests/P/bulk_Hittorf/test.py
new file mode 100644
index 000000000..86d87e13e
--- /dev/null
+++ b/testingframework/tests/P/bulk_Hittorf/test.py
@@ -0,0 +1,5 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(
+ os.path.abspath(os.path.dirname(__file__)), "orthorhombic", n_steps=(-6, 6)
+)
diff --git a/tests/P/bulk_betaP4/bulk.xyz b/testingframework/tests/P/bulk_betaP4/bulk.xyz
similarity index 100%
rename from tests/P/bulk_betaP4/bulk.xyz
rename to testingframework/tests/P/bulk_betaP4/bulk.xyz
diff --git a/testingframework/tests/P/bulk_betaP4/test.py b/testingframework/tests/P/bulk_betaP4/test.py
new file mode 100644
index 000000000..86d87e13e
--- /dev/null
+++ b/testingframework/tests/P/bulk_betaP4/test.py
@@ -0,0 +1,5 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(
+ os.path.abspath(os.path.dirname(__file__)), "orthorhombic", n_steps=(-6, 6)
+)
diff --git a/tests/P/bulk_black/bulk.xyz b/testingframework/tests/P/bulk_black/bulk.xyz
similarity index 100%
rename from tests/P/bulk_black/bulk.xyz
rename to testingframework/tests/P/bulk_black/bulk.xyz
diff --git a/testingframework/tests/P/bulk_black/test.py b/testingframework/tests/P/bulk_black/test.py
new file mode 100644
index 000000000..86d87e13e
--- /dev/null
+++ b/testingframework/tests/P/bulk_black/test.py
@@ -0,0 +1,5 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(
+ os.path.abspath(os.path.dirname(__file__)), "orthorhombic", n_steps=(-6, 6)
+)
diff --git a/tests/P/bulk_black_primitive/bulk.xyz b/testingframework/tests/P/bulk_black_primitive/bulk.xyz
similarity index 100%
rename from tests/P/bulk_black_primitive/bulk.xyz
rename to testingframework/tests/P/bulk_black_primitive/bulk.xyz
diff --git a/testingframework/tests/P/bulk_black_primitive/test.py b/testingframework/tests/P/bulk_black_primitive/test.py
new file mode 100644
index 000000000..1d384b7f5
--- /dev/null
+++ b/testingframework/tests/P/bulk_black_primitive/test.py
@@ -0,0 +1,5 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(
+ os.path.abspath(os.path.dirname(__file__)), "orthorhombic", n_steps=(-2, 2)
+)
diff --git a/tests/P/bulk_fibrous/bulk.xyz b/testingframework/tests/P/bulk_fibrous/bulk.xyz
similarity index 100%
rename from tests/P/bulk_fibrous/bulk.xyz
rename to testingframework/tests/P/bulk_fibrous/bulk.xyz
diff --git a/testingframework/tests/P/bulk_fibrous/test.py b/testingframework/tests/P/bulk_fibrous/test.py
new file mode 100644
index 000000000..86d87e13e
--- /dev/null
+++ b/testingframework/tests/P/bulk_fibrous/test.py
@@ -0,0 +1,5 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(
+ os.path.abspath(os.path.dirname(__file__)), "orthorhombic", n_steps=(-6, 6)
+)
diff --git a/tests/P/bulk_phosphorene/bulk.xyz b/testingframework/tests/P/bulk_phosphorene/bulk.xyz
similarity index 100%
rename from tests/P/bulk_phosphorene/bulk.xyz
rename to testingframework/tests/P/bulk_phosphorene/bulk.xyz
diff --git a/testingframework/tests/P/bulk_phosphorene/test.py b/testingframework/tests/P/bulk_phosphorene/test.py
new file mode 100644
index 000000000..86d87e13e
--- /dev/null
+++ b/testingframework/tests/P/bulk_phosphorene/test.py
@@ -0,0 +1,5 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(
+ os.path.abspath(os.path.dirname(__file__)), "orthorhombic", n_steps=(-6, 6)
+)
diff --git a/tests/P/dimer/dimer_mbd_reference.xyz b/testingframework/tests/P/dimer/dimer_mbd_reference.xyz
similarity index 100%
rename from tests/P/dimer/dimer_mbd_reference.xyz
rename to testingframework/tests/P/dimer/dimer_mbd_reference.xyz
diff --git a/testingframework/tests/P/dimer/test.py b/testingframework/tests/P/dimer/test.py
new file mode 100644
index 000000000..e01772f88
--- /dev/null
+++ b/testingframework/tests/P/dimer/test.py
@@ -0,0 +1,8 @@
+from testingframework.share.utilities import path_of_file, evaluate_file
+
+filenamelist = ["dimer_mbd_reference.xyz"]
+
+for filename in filenamelist:
+ evaluate_file(path_of_file(__file__) + "/" + filename)
+
+properties = {"files": filenamelist}
diff --git a/testingframework/tests/P/phonons/test.py b/testingframework/tests/P/phonons/test.py
new file mode 100644
index 000000000..f2ba1a1da
--- /dev/null
+++ b/testingframework/tests/P/phonons/test.py
@@ -0,0 +1,6 @@
+from phonons import *
+
+# properties = do_phonons(['bulk_black', 'bulk_black_primitive', 'bulk_betaP4', 'bulk_Hittorf', 'bulk_fibrous'], n_supercell=[3,4,2,1,2], band_paths=['GX','GX','GX','GX','GX'])
+properties = do_phonons(
+ ["bulk_phosphorene"], n_supercell=[[6, 1, 6]], band_paths=["GX"]
+)
diff --git a/tests/Si/RSS/COMPUTATIONAL_COST b/testingframework/tests/Si/RSS/COMPUTATIONAL_COST
similarity index 100%
rename from tests/Si/RSS/COMPUTATIONAL_COST
rename to testingframework/tests/Si/RSS/COMPUTATIONAL_COST
diff --git a/tests/Si/RSS/README b/testingframework/tests/Si/RSS/README
similarity index 100%
rename from tests/Si/RSS/README
rename to testingframework/tests/Si/RSS/README
diff --git a/tests/Si/RSS/random_structs.extxyz b/testingframework/tests/Si/RSS/random_structs.extxyz
similarity index 100%
rename from tests/Si/RSS/random_structs.extxyz
rename to testingframework/tests/Si/RSS/random_structs.extxyz
diff --git a/testingframework/tests/Si/RSS/test.py b/testingframework/tests/Si/RSS/test.py
new file mode 100644
index 000000000..743f440a3
--- /dev/null
+++ b/testingframework/tests/Si/RSS/test.py
@@ -0,0 +1,7 @@
+import os.path
+from RSS import do_RSS
+
+properties = do_RSS(
+ os.path.join(os.path.abspath(os.path.dirname(__file__)), "random_structs.extxyz"),
+ ":400:2",
+)
diff --git a/tests/Si/bulk_Si_bc8/bulk.xyz b/testingframework/tests/Si/bulk_Si_bc8/bulk.xyz
similarity index 100%
rename from tests/Si/bulk_Si_bc8/bulk.xyz
rename to testingframework/tests/Si/bulk_Si_bc8/bulk.xyz
diff --git a/testingframework/tests/Si/bulk_Si_bc8/test.py b/testingframework/tests/Si/bulk_Si_bc8/test.py
new file mode 100644
index 000000000..6688d2917
--- /dev/null
+++ b/testingframework/tests/Si/bulk_Si_bc8/test.py
@@ -0,0 +1,3 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), "cubic")
diff --git a/tests/Si/bulk_Si_bcc/bulk.xyz b/testingframework/tests/Si/bulk_Si_bcc/bulk.xyz
similarity index 100%
rename from tests/Si/bulk_Si_bcc/bulk.xyz
rename to testingframework/tests/Si/bulk_Si_bcc/bulk.xyz
diff --git a/testingframework/tests/Si/bulk_Si_bcc/test.py b/testingframework/tests/Si/bulk_Si_bcc/test.py
new file mode 100644
index 000000000..6688d2917
--- /dev/null
+++ b/testingframework/tests/Si/bulk_Si_bcc/test.py
@@ -0,0 +1,3 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), "cubic")
diff --git a/tests/Si/bulk_Si_beta-Sn/COMPUTATIONAL_COST b/testingframework/tests/Si/bulk_Si_beta-Sn/COMPUTATIONAL_COST
similarity index 100%
rename from tests/Si/bulk_Si_beta-Sn/COMPUTATIONAL_COST
rename to testingframework/tests/Si/bulk_Si_beta-Sn/COMPUTATIONAL_COST
diff --git a/tests/Si/bulk_Si_beta-Sn/bulk.xyz b/testingframework/tests/Si/bulk_Si_beta-Sn/bulk.xyz
similarity index 100%
rename from tests/Si/bulk_Si_beta-Sn/bulk.xyz
rename to testingframework/tests/Si/bulk_Si_beta-Sn/bulk.xyz
diff --git a/testingframework/tests/Si/bulk_Si_beta-Sn/test.py b/testingframework/tests/Si/bulk_Si_beta-Sn/test.py
new file mode 100644
index 000000000..c27695a64
--- /dev/null
+++ b/testingframework/tests/Si/bulk_Si_beta-Sn/test.py
@@ -0,0 +1,5 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(
+ os.path.abspath(os.path.dirname(__file__)), "tetragonal"
+)
diff --git a/tests/Si/bulk_Si_diamond/COMPUTATIONAL_COST b/testingframework/tests/Si/bulk_Si_diamond/COMPUTATIONAL_COST
similarity index 100%
rename from tests/Si/bulk_Si_diamond/COMPUTATIONAL_COST
rename to testingframework/tests/Si/bulk_Si_diamond/COMPUTATIONAL_COST
diff --git a/tests/Si/bulk_Si_diamond/bulk.xyz b/testingframework/tests/Si/bulk_Si_diamond/bulk.xyz
similarity index 100%
rename from tests/Si/bulk_Si_diamond/bulk.xyz
rename to testingframework/tests/Si/bulk_Si_diamond/bulk.xyz
diff --git a/testingframework/tests/Si/bulk_Si_diamond/test.py b/testingframework/tests/Si/bulk_Si_diamond/test.py
new file mode 100644
index 000000000..6688d2917
--- /dev/null
+++ b/testingframework/tests/Si/bulk_Si_diamond/test.py
@@ -0,0 +1,3 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), "cubic")
diff --git a/tests/Si/bulk_Si_fcc/bulk.xyz b/testingframework/tests/Si/bulk_Si_fcc/bulk.xyz
similarity index 100%
rename from tests/Si/bulk_Si_fcc/bulk.xyz
rename to testingframework/tests/Si/bulk_Si_fcc/bulk.xyz
diff --git a/testingframework/tests/Si/bulk_Si_fcc/test.py b/testingframework/tests/Si/bulk_Si_fcc/test.py
new file mode 100644
index 000000000..6688d2917
--- /dev/null
+++ b/testingframework/tests/Si/bulk_Si_fcc/test.py
@@ -0,0 +1,3 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), "cubic")
diff --git a/tests/Si/bulk_Si_hcp/bulk.xyz b/testingframework/tests/Si/bulk_Si_hcp/bulk.xyz
similarity index 100%
rename from tests/Si/bulk_Si_hcp/bulk.xyz
rename to testingframework/tests/Si/bulk_Si_hcp/bulk.xyz
diff --git a/testingframework/tests/Si/bulk_Si_hcp/test.py b/testingframework/tests/Si/bulk_Si_hcp/test.py
new file mode 100644
index 000000000..c27695a64
--- /dev/null
+++ b/testingframework/tests/Si/bulk_Si_hcp/test.py
@@ -0,0 +1,5 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(
+ os.path.abspath(os.path.dirname(__file__)), "tetragonal"
+)
diff --git a/tests/Si/bulk_Si_hcp_sf/bulk.xyz b/testingframework/tests/Si/bulk_Si_hcp_sf/bulk.xyz
similarity index 100%
rename from tests/Si/bulk_Si_hcp_sf/bulk.xyz
rename to testingframework/tests/Si/bulk_Si_hcp_sf/bulk.xyz
diff --git a/testingframework/tests/Si/bulk_Si_hcp_sf/test.py b/testingframework/tests/Si/bulk_Si_hcp_sf/test.py
new file mode 100644
index 000000000..c27695a64
--- /dev/null
+++ b/testingframework/tests/Si/bulk_Si_hcp_sf/test.py
@@ -0,0 +1,5 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(
+ os.path.abspath(os.path.dirname(__file__)), "tetragonal"
+)
diff --git a/tests/Si/bulk_Si_hexagonal_diamond/COMPUTATIONAL_COST b/testingframework/tests/Si/bulk_Si_hexagonal_diamond/COMPUTATIONAL_COST
similarity index 100%
rename from tests/Si/bulk_Si_hexagonal_diamond/COMPUTATIONAL_COST
rename to testingframework/tests/Si/bulk_Si_hexagonal_diamond/COMPUTATIONAL_COST
diff --git a/tests/Si/bulk_Si_hexagonal_diamond/bulk.xyz b/testingframework/tests/Si/bulk_Si_hexagonal_diamond/bulk.xyz
similarity index 100%
rename from tests/Si/bulk_Si_hexagonal_diamond/bulk.xyz
rename to testingframework/tests/Si/bulk_Si_hexagonal_diamond/bulk.xyz
diff --git a/testingframework/tests/Si/bulk_Si_hexagonal_diamond/test.py b/testingframework/tests/Si/bulk_Si_hexagonal_diamond/test.py
new file mode 100644
index 000000000..c27695a64
--- /dev/null
+++ b/testingframework/tests/Si/bulk_Si_hexagonal_diamond/test.py
@@ -0,0 +1,5 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(
+ os.path.abspath(os.path.dirname(__file__)), "tetragonal"
+)
diff --git a/tests/Si/bulk_Si_simple_hexagonal/COMPUTATIONAL_COST b/testingframework/tests/Si/bulk_Si_simple_hexagonal/COMPUTATIONAL_COST
similarity index 100%
rename from tests/Si/bulk_Si_simple_hexagonal/COMPUTATIONAL_COST
rename to testingframework/tests/Si/bulk_Si_simple_hexagonal/COMPUTATIONAL_COST
diff --git a/tests/Si/bulk_Si_simple_hexagonal/bulk.xyz b/testingframework/tests/Si/bulk_Si_simple_hexagonal/bulk.xyz
similarity index 100%
rename from tests/Si/bulk_Si_simple_hexagonal/bulk.xyz
rename to testingframework/tests/Si/bulk_Si_simple_hexagonal/bulk.xyz
diff --git a/testingframework/tests/Si/bulk_Si_simple_hexagonal/test.py b/testingframework/tests/Si/bulk_Si_simple_hexagonal/test.py
new file mode 100644
index 000000000..c27695a64
--- /dev/null
+++ b/testingframework/tests/Si/bulk_Si_simple_hexagonal/test.py
@@ -0,0 +1,5 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(
+ os.path.abspath(os.path.dirname(__file__)), "tetragonal"
+)
diff --git a/tests/Si/bulk_Si_st12/bulk.xyz b/testingframework/tests/Si/bulk_Si_st12/bulk.xyz
similarity index 100%
rename from tests/Si/bulk_Si_st12/bulk.xyz
rename to testingframework/tests/Si/bulk_Si_st12/bulk.xyz
diff --git a/testingframework/tests/Si/bulk_Si_st12/test.py b/testingframework/tests/Si/bulk_Si_st12/test.py
new file mode 100644
index 000000000..c27695a64
--- /dev/null
+++ b/testingframework/tests/Si/bulk_Si_st12/test.py
@@ -0,0 +1,5 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(
+ os.path.abspath(os.path.dirname(__file__)), "tetragonal"
+)
diff --git a/tests/Si/gap_6_rss_like_open_ended_minima_rerelax_sd2/model-GAP-6-test-RSS_like_open_ended-unique-minima.xyz b/testingframework/tests/Si/gap_6_rss_like_open_ended_minima_rerelax_sd2/model-GAP-6-test-RSS_like_open_ended-unique-minima.xyz
similarity index 100%
rename from tests/Si/gap_6_rss_like_open_ended_minima_rerelax_sd2/model-GAP-6-test-RSS_like_open_ended-unique-minima.xyz
rename to testingframework/tests/Si/gap_6_rss_like_open_ended_minima_rerelax_sd2/model-GAP-6-test-RSS_like_open_ended-unique-minima.xyz
diff --git a/tests/Si/gap_6_rss_like_open_ended_minima_rerelax_sd2/test.py b/testingframework/tests/Si/gap_6_rss_like_open_ended_minima_rerelax_sd2/test.py
similarity index 96%
rename from tests/Si/gap_6_rss_like_open_ended_minima_rerelax_sd2/test.py
rename to testingframework/tests/Si/gap_6_rss_like_open_ended_minima_rerelax_sd2/test.py
index 8314d3544..7f49aac4f 100644
--- a/tests/Si/gap_6_rss_like_open_ended_minima_rerelax_sd2/test.py
+++ b/testingframework/tests/Si/gap_6_rss_like_open_ended_minima_rerelax_sd2/test.py
@@ -17,7 +17,7 @@
from ase.constraints import UnitCellFilter
# set of utility routines specific this this model/testing framework
-from utilities_old import relax_atoms, relax_atoms_cell
+from testingframework.share.utilities _old import relax_atoms, relax_atoms_cell
# the current model
#print "import model"
@@ -41,7 +41,7 @@
# specify that we will use model.calculator to compute forces, energies and stresses
bulk.set_calculator(model.calculator)
- # use one of the routines from utilities module to relax the initial
+ # use one of the routines from testingframework.share.utilities module to relax the initial
# unit cell and atomic positions
bulk = relax_atoms_cell(bulk, tol=fmax, traj_file=None)
else:
diff --git a/testingframework/tests/Si/phonon_bulks/test.py b/testingframework/tests/Si/phonon_bulks/test.py
new file mode 100644
index 000000000..73bfaf633
--- /dev/null
+++ b/testingframework/tests/Si/phonon_bulks/test.py
@@ -0,0 +1,3 @@
+from phonons import *
+
+properties = do_phonons(["bulk_Si_diamond"], n_supercell=6, band_paths=["GXKGL"])
diff --git a/tests/Si/point_defect_Si_diamond_interstitial_dumb/COMPUTATIONAL_COST b/testingframework/tests/Si/point_defect_Si_diamond_interstitial_dumb/COMPUTATIONAL_COST
similarity index 100%
rename from tests/Si/point_defect_Si_diamond_interstitial_dumb/COMPUTATIONAL_COST
rename to testingframework/tests/Si/point_defect_Si_diamond_interstitial_dumb/COMPUTATIONAL_COST
diff --git a/tests/Si/point_defect_Si_diamond_interstitial_dumb/bulk_supercell.xyz b/testingframework/tests/Si/point_defect_Si_diamond_interstitial_dumb/bulk_supercell.xyz
similarity index 100%
rename from tests/Si/point_defect_Si_diamond_interstitial_dumb/bulk_supercell.xyz
rename to testingframework/tests/Si/point_defect_Si_diamond_interstitial_dumb/bulk_supercell.xyz
diff --git a/tests/Si/point_defect_Si_diamond_interstitial_dumb/test.py b/testingframework/tests/Si/point_defect_Si_diamond_interstitial_dumb/test.py
similarity index 54%
rename from tests/Si/point_defect_Si_diamond_interstitial_dumb/test.py
rename to testingframework/tests/Si/point_defect_Si_diamond_interstitial_dumb/test.py
index f37ec45f1..db3f105a5 100644
--- a/tests/Si/point_defect_Si_diamond_interstitial_dumb/test.py
+++ b/testingframework/tests/Si/point_defect_Si_diamond_interstitial_dumb/test.py
@@ -17,23 +17,23 @@
import ase.io, sys
# set of utility routines specific this this model/testing framework
-from utilities import relax_config, run_root
+from testingframework.share.utilities import relax_config, run_root
# the current model
import model
-a0 = 5.44 # initial guess at lattice constant, cell will be relaxed below
-tol = 1e-3 # maximum force following relaxtion [eV/A]
-N = 3 # number of unit cells in each direction
+a0 = 5.44 # initial guess at lattice constant, cell will be relaxed below
+tol = 1e-3 # maximum force following relaxtion [eV/A]
+N = 3 # number of unit cells in each direction
-if not hasattr(model, 'bulk_reference_216'):
+if not hasattr(model, "bulk_reference_216"):
# set up the a
- bulk = Diamond(symbol='Si', latticeconstant=a0)
+ bulk = Diamond(symbol="Si", latticeconstant=a0)
# specify that we will use model.calculator to compute forces, energies and stresses
bulk.set_calculator(model.calculator)
- # use one of the routines from utilities module to relax the initial
+ # use one of the routines from testingframework.share.utilities module to relax the initial
# unit cell and atomic positions
bulk = relax_config(bulk, relax_pos=True, relax_cell=True, tol=tol, traj_file=None)
bulk *= (N, N, N)
@@ -42,32 +42,40 @@
bulk = model.bulk_reference_216
bulk_energy = bulk.get_potential_energy()
+
def dumbbell_interstitial_energy(bulk):
Nat = bulk.get_number_of_atoms()
int_struct = bulk.copy()
int_struct.set_calculator(bulk.get_calculator())
# add an atom to introduce an interstitial
- int_struct.append(Atom('Si', (-0.5, 0.5, 5.44/2.0+1.0)))
+ int_struct.append(Atom("Si", (-0.5, 0.5, 5.44 / 2.0 + 1.0)))
p = int_struct.get_positions()
- p[149,0] -= 1.0
- p[149,1] += 1.0
- p[149,2] -= 0.5
+ p[149, 0] -= 1.0
+ p[149, 1] += 1.0
+ p[149, 2] -= 0.5
int_struct.set_positions(p)
- ase.io.write(sys.stdout, int_struct, format='extxyz')
+ ase.io.write(sys.stdout, int_struct, format="extxyz")
# relax atom positions, holding cell fixed
- int_struct = relax_config(int_struct, relax_pos=True, relax_cell=False, tol=tol, traj_file="model-"+model.name+"-test-interstitial-dumbbell.opt.xyz")
- #int_struct = relax_atoms(int_struct, tol=tol, traj_file="model-"+model.name+"-test-interstitial-dumbbell.opt.xyz")
- ase.io.write(sys.stdout, int_struct, format='extxyz')
+ int_struct = relax_config(
+ int_struct,
+ relax_pos=True,
+ relax_cell=False,
+ tol=tol,
+ traj_file="model-" + model.name + "-test-interstitial-dumbbell.opt.xyz",
+ )
+ # int_struct = relax_atoms(int_struct, tol=tol, traj_file="model-"+model.name+"-test-interstitial-dumbbell.opt.xyz")
+ ase.io.write(sys.stdout, int_struct, format="extxyz")
# compute formation energy as difference of bulk and int energies
- print('bulk cell energy', bulk_energy)
- print('interstitial cell energy', int_struct.get_potential_energy())
- e_form = int_struct.get_potential_energy() - bulk_energy*((Nat+1.0)/Nat)
- print('interstitial formation energy', e_form)
+ print("bulk cell energy", bulk_energy)
+ print("interstitial cell energy", int_struct.get_potential_energy())
+ e_form = int_struct.get_potential_energy() - bulk_energy * ((Nat + 1.0) / Nat)
+ print("interstitial formation energy", e_form)
return e_form
+
# dictionary of computed properties - this is output of this test, to
# be compared with other models
-properties = {'dumbbell_interstitial_energy': dumbbell_interstitial_energy(bulk)}
+properties = {"dumbbell_interstitial_energy": dumbbell_interstitial_energy(bulk)}
diff --git a/testingframework/tests/Si/point_defect_Si_diamond_interstitial_dumb/test_old.py b/testingframework/tests/Si/point_defect_Si_diamond_interstitial_dumb/test_old.py
new file mode 100644
index 000000000..c4a0c2342
--- /dev/null
+++ b/testingframework/tests/Si/point_defect_Si_diamond_interstitial_dumb/test_old.py
@@ -0,0 +1,5 @@
+import os.path, vacancy
+
+properties = vacancy.do_all_vacancies(
+ os.path.abspath(os.path.dirname(__file__)), nn_cutoff=2.7
+)
diff --git a/tests/Si/point_defect_Si_diamond_interstitial_hex/COMPUTATIONAL_COST b/testingframework/tests/Si/point_defect_Si_diamond_interstitial_hex/COMPUTATIONAL_COST
similarity index 100%
rename from tests/Si/point_defect_Si_diamond_interstitial_hex/COMPUTATIONAL_COST
rename to testingframework/tests/Si/point_defect_Si_diamond_interstitial_hex/COMPUTATIONAL_COST
diff --git a/tests/Si/point_defect_Si_diamond_interstitial_hex/bulk_supercell.xyz b/testingframework/tests/Si/point_defect_Si_diamond_interstitial_hex/bulk_supercell.xyz
similarity index 100%
rename from tests/Si/point_defect_Si_diamond_interstitial_hex/bulk_supercell.xyz
rename to testingframework/tests/Si/point_defect_Si_diamond_interstitial_hex/bulk_supercell.xyz
diff --git a/testingframework/tests/Si/point_defect_Si_diamond_interstitial_hex/test.py b/testingframework/tests/Si/point_defect_Si_diamond_interstitial_hex/test.py
new file mode 100644
index 000000000..dc6d06d8e
--- /dev/null
+++ b/testingframework/tests/Si/point_defect_Si_diamond_interstitial_hex/test.py
@@ -0,0 +1,5 @@
+import os.path, interstitial
+
+properties = interstitial.do_interstitial(
+ os.path.abspath(os.path.dirname(__file__)), nn_cutoff=2.7
+)
diff --git a/tests/Si/point_defect_Si_diamond_interstitial_tetr/COMPUTATIONAL_COST b/testingframework/tests/Si/point_defect_Si_diamond_interstitial_tetr/COMPUTATIONAL_COST
similarity index 100%
rename from tests/Si/point_defect_Si_diamond_interstitial_tetr/COMPUTATIONAL_COST
rename to testingframework/tests/Si/point_defect_Si_diamond_interstitial_tetr/COMPUTATIONAL_COST
diff --git a/tests/Si/point_defect_Si_diamond_interstitial_tetr/bulk_supercell.xyz b/testingframework/tests/Si/point_defect_Si_diamond_interstitial_tetr/bulk_supercell.xyz
similarity index 100%
rename from tests/Si/point_defect_Si_diamond_interstitial_tetr/bulk_supercell.xyz
rename to testingframework/tests/Si/point_defect_Si_diamond_interstitial_tetr/bulk_supercell.xyz
diff --git a/testingframework/tests/Si/point_defect_Si_diamond_interstitial_tetr/test.py b/testingframework/tests/Si/point_defect_Si_diamond_interstitial_tetr/test.py
new file mode 100644
index 000000000..dc6d06d8e
--- /dev/null
+++ b/testingframework/tests/Si/point_defect_Si_diamond_interstitial_tetr/test.py
@@ -0,0 +1,5 @@
+import os.path, interstitial
+
+properties = interstitial.do_interstitial(
+ os.path.abspath(os.path.dirname(__file__)), nn_cutoff=2.7
+)
diff --git a/tests/Si/point_defect_Si_diamond_vacancy/COMPUTATIONAL_COST b/testingframework/tests/Si/point_defect_Si_diamond_vacancy/COMPUTATIONAL_COST
similarity index 100%
rename from tests/Si/point_defect_Si_diamond_vacancy/COMPUTATIONAL_COST
rename to testingframework/tests/Si/point_defect_Si_diamond_vacancy/COMPUTATIONAL_COST
diff --git a/tests/Si/point_defect_Si_diamond_vacancy/bulk_supercell.xyz b/testingframework/tests/Si/point_defect_Si_diamond_vacancy/bulk_supercell.xyz
similarity index 100%
rename from tests/Si/point_defect_Si_diamond_vacancy/bulk_supercell.xyz
rename to testingframework/tests/Si/point_defect_Si_diamond_vacancy/bulk_supercell.xyz
diff --git a/testingframework/tests/Si/point_defect_Si_diamond_vacancy/test.py b/testingframework/tests/Si/point_defect_Si_diamond_vacancy/test.py
new file mode 100644
index 000000000..c4a0c2342
--- /dev/null
+++ b/testingframework/tests/Si/point_defect_Si_diamond_vacancy/test.py
@@ -0,0 +1,5 @@
+import os.path, vacancy
+
+properties = vacancy.do_all_vacancies(
+ os.path.abspath(os.path.dirname(__file__)), nn_cutoff=2.7
+)
diff --git a/testingframework/tests/Si/qha_diamond/test.py b/testingframework/tests/Si/qha_diamond/test.py
new file mode 100644
index 000000000..78acb591e
--- /dev/null
+++ b/testingframework/tests/Si/qha_diamond/test.py
@@ -0,0 +1,187 @@
+# This script defines a test case which computes one or more physical
+# properties with a given model
+#
+# INPUTS:
+# model.calculator -- an ase.calculator.Calculator instance
+# this script can assume the calculator is checkpointed.
+#
+# OUTPUTS:
+# properties -- dictionary of key/value pairs corresponding
+# to physical quantities computed by this test
+
+# standard ASE structure generation routines
+
+import model
+import json
+
+from ase.build import bulk
+from phonopy import Phonopy
+from phonopy.structure.atoms import PhonopyAtoms
+
+
+HBAR = 0.6582119514
+BOLTZMANN_K = 8.6173303e-05
+GPA = 160.21766208
+
+import ase
+from ase import Atoms
+from testingframework.share.utilities import relax_config, phonons
+import numpy as np
+
+supercell = [[4, 0, 0], [0, 4, 0], [0, 0, 4]]
+dx = 0.03
+mesh = [16, 16, 16]
+
+temperature_range = [1.0e-4, 1500]
+
+points = np.array([[0, 0, 0], [0, 0.5, 0.5], [1, 1, 1], [0.5, 0.5, 0.5]])
+
+n_points = 50
+
+# set up cell and bulk modulus
+try:
+ with open("../model-{}-test-bulk_diamond-properties.json".format(model.name)) as f:
+ j = json.load(f)
+ a0 = j["diamond_a0"]
+ bulk_at = bulk("Si", "diamond", a0)
+
+ bulk_modulus = j["diamond_bulk_modulus"] / GPA
+except:
+ bulk_at = bulk("Si", "diamond", 5.43)
+ bulk_at.set_calculator(model.calculator)
+ bulk_at = relax_config(
+ bulk_at, relax_pos=True, relax_cell=True, tol=1.0e-4, traj_file=None
+ )
+ a0 = bulk_at.get_cell_lengths_and_angles()[0] * np.sqrt(2.0)
+ bulk_at = bulk("Si", "diamond", a0)
+
+ from matscipy import elasticity
+ from ase.optimize import BFGS
+
+ bulk_at.set_calculator(model.calculator)
+ opt = BFGS
+ b = elasticity.fit_elastic_constants(bulk_at, symmetry="cubic", optimizer=opt)
+ bulk_modulus = elasticity.elastic_moduli(b[0])[3]
+
+try:
+ with open(
+ "../model-{}-test-phonon_diamond-properties.json".format(model.name)
+ ) as f:
+ j = json.load(f)
+
+ f0 = j["phonon_diamond_frequencies"]
+ bf0 = j["phonon_diamond_band_frequencies"]
+ band_distances = j["phonon_diamond_band_distances"]
+ weights = j["phonon_diamond_weights"]
+except:
+ phonon_properties = phonons(
+ model,
+ bulk_at,
+ supercell=supercell,
+ dx=dx,
+ mesh=mesh,
+ points=points,
+ n_points=n_points,
+ )
+ f0 = phonon_properties["frequencies"]
+ bf0 = phonon_properties["band_frequencies"]
+ band_distances = phonon_properties["band_distances"]
+ weights = phonon_properties["weights"]
+
+n_frequencies = len(f0)
+n_band_frequencies = len(bf0)
+
+f0 = np.array(f0) * 1.0e-3
+bf0 = np.array(bf0) * 1.0e-3
+weights = 1.0 * np.array(weights)
+
+c = 0.01
+fd = []
+band_frequencies_d = []
+a = []
+for dc in [-c, c]:
+ atd = bulk_at.copy()
+ atd.set_cell(bulk_at.get_cell() * (1 + dc), scale_atoms=True)
+ phonon_properties = phonons(
+ model,
+ atd,
+ supercell=supercell,
+ dx=dx,
+ mesh=mesh,
+ points=points,
+ n_points=n_points,
+ )
+ a.append(atd.get_cell_lengths_and_angles()[0] * np.sqrt(2.0))
+ f = phonon_properties["frequencies"]
+ if n_frequencies != len(f):
+ raise ValueError
+ fd.append(np.array(f) * 1.0e-3)
+
+ bf = phonon_properties["band_frequencies"]
+ if n_band_frequencies != len(bf):
+ raise ValueError
+ band_frequencies_d.append(np.array(bf) * 1.0e-3)
+
+mode_gruneisens = -(fd[1] - fd[0]) / (a[1] - a[0]) * a0 / f0 / 3.0
+where_Nans = np.isclose(f0, 0.0, atol=1.0e-4)
+mode_gruneisens[where_Nans] = 0.0
+
+mode_band_gruneisens = (
+ -(band_frequencies_d[1] - band_frequencies_d[0]) / (a[1] - a[0]) * a0 / bf0 / 3.0
+)
+where_Nans = np.isclose(bf0, 0.0, atol=1.0e-4)
+# mode_band_gruneisens[where_Nans] = 0.0
+for i_direction, direction in enumerate(bf0):
+ for i_q, q, in enumerate(direction):
+ for i_band, band in enumerate(q):
+ if np.isclose(band, 0.0, atol=1.0e-4):
+ # print band, i_band, i_q,i_direction, bf0[i_direction,i_q,i_band],mode_band_gruneisens[i_direction,i_q,i_band]
+ if i_q == 0:
+ mode_band_gruneisens[
+ i_direction, i_q, i_band
+ ] = mode_band_gruneisens[i_direction, i_q + 1, i_band]
+ elif i_q == len(direction) - 1:
+ mode_band_gruneisens[
+ i_direction, i_q, i_band
+ ] = mode_band_gruneisens[i_direction, i_q - 1, i_band]
+ else:
+ mode_band_gruneisens[i_direction, i_q, i_band] = (
+ mode_band_gruneisens[i_direction, i_q - 1, i_band]
+ + mode_band_gruneisens[i_direction, i_q + 1, i_band]
+ ) / 2
+ # print mode_band_gruneisens[i_direction,i_q,i_band]
+
+temperature = np.logspace(
+ np.log10(temperature_range[0]), np.log10(temperature_range[1]), 200
+)
+heat_capacity = []
+thermal_expansion = []
+gruneisen = []
+
+for t in temperature:
+ c = 2 * np.pi * HBAR * f0 / (2 * BOLTZMANN_K * t)
+ c = BOLTZMANN_K * c ** 2 / np.sinh(c) ** 2
+
+ c = c * weights[:, np.newaxis] / np.sum(weights)
+
+ heat_capacity.append(np.sum(c))
+ thermal_expansion.append(
+ np.sum(c * mode_gruneisens) / (3.0 * bulk_at.get_volume() * bulk_modulus)
+ )
+ gruneisen.append(np.sum(c * mode_gruneisens) / np.sum(c))
+
+temperature = [_f for _f in temperature]
+heat_capacity = [_f for _f in heat_capacity]
+thermal_expansion = [_f for _f in thermal_expansion]
+gruneisen = [_f for _f in gruneisen]
+mode_band_gruneisens = [_f.tolist() for _f in mode_band_gruneisens]
+
+properties = {
+ "a0": a0,
+ "qha_temperature": temperature,
+ "qha_heat_capacity": heat_capacity,
+ "qha_thermal_expansion": thermal_expansion,
+ "qha_gruneisen": gruneisen,
+ "qha_band_distances": band_distances,
+ "qha_mode_band_gruneisens": mode_band_gruneisens,
+}
diff --git a/tests/Si/surface-decohesion-100-unrelaxed/test.py b/testingframework/tests/Si/surface-decohesion-100-unrelaxed/test.py
similarity index 68%
rename from tests/Si/surface-decohesion-100-unrelaxed/test.py
rename to testingframework/tests/Si/surface-decohesion-100-unrelaxed/test.py
index 1d76c388e..1069e0870 100644
--- a/tests/Si/surface-decohesion-100-unrelaxed/test.py
+++ b/testingframework/tests/Si/surface-decohesion-100-unrelaxed/test.py
@@ -13,27 +13,28 @@
from ase.lattice.cubic import Diamond
# set of utility routines specific this this model/testing framework
-from utilities import relax_config
+from testingframework.share.utilities import relax_config
# the current model
import model
-a0 = 5.44 # initial guess at lattice constant, cell will be relaxed below
-fmax = 0.01 # maximum force following relaxtion [eV/A]
+a0 = 5.44 # initial guess at lattice constant, cell will be relaxed below
+fmax = 0.01 # maximum force following relaxtion [eV/A]
# set up the a
-bulk = Diamond(symbol='Si', latticeconstant=a0)
+bulk = Diamond(symbol="Si", latticeconstant=a0)
# specify that we will use model.calculator to compute forces, energies and stresses
bulk.set_calculator(model.calculator)
-# use one of the routines from utilities module to relax the initial
+# use one of the routines from testingframework.share.utilities module to relax the initial
# unit cell and atomic positions
bulk = relax_config(bulk, relax_pos=True, relax_cell=False, tol=fmax, traj_file=None)
# set up supercell
bulk *= (5, 1, 1)
+
def surface_energy(bulk, opening):
Nat = bulk.get_number_of_atoms()
@@ -42,16 +43,17 @@ def surface_energy(bulk, opening):
# compute surface formation energy as difference of bulk and expanded cell
ebulk = bulk.get_potential_energy()
- print('bulk cell energy', ebulk)
+ print("bulk cell energy", ebulk)
- bulk.cell[0,:] += [opening,0.0,0.0]
- eexp = bulk.get_potential_energy()
+ bulk.cell[0, :] += [opening, 0.0, 0.0]
+ eexp = bulk.get_potential_energy()
- print('expanded cell energy', eexp)
- e_form = (eexp - ebulk) / (bulk.cell[1,1]*bulk.cell[2,2])
- print('unrelaxed 100 surface formation energy', e_form)
+ print("expanded cell energy", eexp)
+ e_form = (eexp - ebulk) / (bulk.cell[1, 1] * bulk.cell[2, 2])
+ print("unrelaxed 100 surface formation energy", e_form)
return e_form
+
# dictionary of computed properties - this is output of this test, to
# be compared with other models
n_steps = 35
@@ -62,7 +64,7 @@ def surface_energy(bulk, opening):
openings = []
es = []
for i in range(n_steps + 1):
- opening = float(i)/float(n_steps)*max_opening
+ opening = float(i) / float(n_steps) * max_opening
openings.append(opening)
bulk_copy = bulk.copy()
bulk_copy.set_calculator(model.calculator)
@@ -76,8 +78,13 @@ def surface_energy(bulk, opening):
print("openings ", openings)
print("es ", es)
from scipy import interpolate
+
spline = interpolate.splrep(openings, es, s=0)
stresses = [x for x in interpolate.splev(openings, spline, der=1)]
print("stresses ", stresses)
-properties = {'surface_decohesion_unrelaxed_opening': openings, 'surface_decohesion_unrelaxed_energy' : es, 'surface_decohesion_unrelaxed_stress' : stresses}
+properties = {
+ "surface_decohesion_unrelaxed_opening": openings,
+ "surface_decohesion_unrelaxed_energy": es,
+ "surface_decohesion_unrelaxed_stress": stresses,
+}
diff --git a/tests/Si/surface-decohesion-110-unrelaxed/test.py b/testingframework/tests/Si/surface-decohesion-110-unrelaxed/test.py
similarity index 55%
rename from tests/Si/surface-decohesion-110-unrelaxed/test.py
rename to testingframework/tests/Si/surface-decohesion-110-unrelaxed/test.py
index 497df8bb3..4c71628e8 100644
--- a/tests/Si/surface-decohesion-110-unrelaxed/test.py
+++ b/testingframework/tests/Si/surface-decohesion-110-unrelaxed/test.py
@@ -4,40 +4,43 @@
import ase.io, sys
# set of utility routines specific this this model/testing framework
-from utilities import relax_config
+from testingframework.share.utilities import relax_config
# the current model
import model
-a0 = 5.44 # initial guess at lattice constant, cell will be relaxed below
-fmax = 0.01 # maximum force following relaxtion [eV/A]
+a0 = 5.44 # initial guess at lattice constant, cell will be relaxed below
+fmax = 0.01 # maximum force following relaxtion [eV/A]
# set up the a
-bulk = Diamond(symbol='Si', latticeconstant=a0, directions=[[1,-1,0],[0,0,1],[1,1,0]])
+bulk = Diamond(
+ symbol="Si", latticeconstant=a0, directions=[[1, -1, 0], [0, 0, 1], [1, 1, 0]]
+)
# specify that we will use model.calculator to compute forces, energies and stresses
bulk.set_calculator(model.calculator)
# flip coord system for ASE (precon minim?)
c = bulk.get_cell()
-t_v = c[0,:].copy()
-c[0,:] = c[1,:]
-c[1,:] = t_v
+t_v = c[0, :].copy()
+c[0, :] = c[1, :]
+c[1, :] = t_v
bulk.set_cell(c)
-# use one of the routines from utilities module to relax the initial
+# use one of the routines from testingframework.share.utilities module to relax the initial
# unit cell and atomic positions
bulk = relax_config(bulk, relax_pos=True, relax_cell=False, tol=fmax, traj_file=None)
# set up supercell
bulk *= (1, 1, 5)
-ase.io.write(sys.stdout, bulk, format='extxyz')
+ase.io.write(sys.stdout, bulk, format="extxyz")
+
def surface_energy(bulk, z_offset, opening):
Nat = bulk.get_number_of_atoms()
# shift so cut is through shuffle plane
- bulk.positions[:,2] += z_offset
+ bulk.positions[:, 2] += z_offset
bulk.wrap()
# relax atom positions, holding cell fixed
@@ -45,18 +48,23 @@ def surface_energy(bulk, z_offset, opening):
# compute surface formation energy as difference of bulk and expanded cell
ebulk = bulk.get_potential_energy()
- print('bulk cell energy', ebulk)
+ print("bulk cell energy", ebulk)
- bulk.cell[2,2] *= (np.abs(bulk.cell[2,2])+opening)/np.abs(bulk.cell[2,2])
- eexp = bulk.get_potential_energy()
+ bulk.cell[2, 2] *= (np.abs(bulk.cell[2, 2]) + opening) / np.abs(bulk.cell[2, 2])
+ eexp = bulk.get_potential_energy()
- ase.io.write(sys.stdout, bulk, format='extxyz')
+ ase.io.write(sys.stdout, bulk, format="extxyz")
- print('expanded cell energy', eexp)
- e_form = 0.5*(eexp - ebulk) / np.linalg.norm(np.cross(bulk.cell[0,:],bulk.cell[1,:]))
- print('unrelaxed 110 surface formation energy', e_form)
+ print("expanded cell energy", eexp)
+ e_form = (
+ 0.5
+ * (eexp - ebulk)
+ / np.linalg.norm(np.cross(bulk.cell[0, :], bulk.cell[1, :]))
+ )
+ print("unrelaxed 110 surface formation energy", e_form)
return e_form
+
# dictionary of computed properties - this is output of this test, to
# be compared with other models
n_steps = 35
@@ -65,7 +73,7 @@ def surface_energy(bulk, z_offset, opening):
openings = []
es = []
for i in range(n_steps + 1):
- opening = float(i)/float(n_steps)*max_opening
+ opening = float(i) / float(n_steps) * max_opening
openings.append(opening)
bulk_copy = bulk.copy()
bulk_copy.set_calculator(model.calculator)
@@ -74,8 +82,13 @@ def surface_energy(bulk, z_offset, opening):
print("openings ", openings)
print("es ", es)
from scipy import interpolate
+
spline = interpolate.splrep(openings, es, s=0)
stresses = [x for x in interpolate.splev(openings, spline, der=1)]
print("stresses ", stresses)
-properties = {'surface_decohesion_unrelaxed_opening': openings, 'surface_decohesion_unrelaxed_energy' : es, 'surface_decohesion_unrelaxed_stress' : stresses}
+properties = {
+ "surface_decohesion_unrelaxed_opening": openings,
+ "surface_decohesion_unrelaxed_energy": es,
+ "surface_decohesion_unrelaxed_stress": stresses,
+}
diff --git a/tests/Si/surface-decohesion-111-unrelaxed/test.py b/testingframework/tests/Si/surface-decohesion-111-unrelaxed/test.py
similarity index 57%
rename from tests/Si/surface-decohesion-111-unrelaxed/test.py
rename to testingframework/tests/Si/surface-decohesion-111-unrelaxed/test.py
index aece91090..6962b64ad 100644
--- a/tests/Si/surface-decohesion-111-unrelaxed/test.py
+++ b/testingframework/tests/Si/surface-decohesion-111-unrelaxed/test.py
@@ -4,21 +4,23 @@
import ase.io, sys
# set of utility routines specific this this model/testing framework
-from utilities import relax_config
+from testingframework.share.utilities import relax_config
# the current model
import model
-a0 = 5.44 # initial guess at lattice constant, cell will be relaxed below
-fmax = 0.01 # maximum force following relaxtion [eV/A]
+a0 = 5.44 # initial guess at lattice constant, cell will be relaxed below
+fmax = 0.01 # maximum force following relaxtion [eV/A]
# set up the a
-bulk = Diamond(symbol='Si', latticeconstant=a0, directions=[[1,-1,0],[1,0,-1],[1,1,1]])
+bulk = Diamond(
+ symbol="Si", latticeconstant=a0, directions=[[1, -1, 0], [1, 0, -1], [1, 1, 1]]
+)
# specify that we will use model.calculator to compute forces, energies and stresses
bulk.set_calculator(model.calculator)
-# use one of the routines from utilities module to relax the initial
+# use one of the routines from testingframework.share.utilities module to relax the initial
# unit cell and atomic positions
bulk = relax_config(bulk, relax_pos=True, relax_cell=False, tol=fmax, traj_file=None)
@@ -30,7 +32,7 @@ def surface_energy(bulk, z_offset, opening):
Nat = bulk.get_number_of_atoms()
# shift so cut is through shuffle plane
- bulk.positions[:,2] += z_offset
+ bulk.positions[:, 2] += z_offset
bulk.wrap()
# relax atom positions, holding cell fixed
@@ -38,18 +40,23 @@ def surface_energy(bulk, z_offset, opening):
# compute surface formation energy as difference of bulk and expanded cell
ebulk = bulk.get_potential_energy()
- print('bulk cell energy', ebulk)
+ print("bulk cell energy", ebulk)
- bulk.cell[2,:] += [0.0,0.0,opening]
- eexp = bulk.get_potential_energy()
+ bulk.cell[2, :] += [0.0, 0.0, opening]
+ eexp = bulk.get_potential_energy()
- ase.io.write(sys.stdout, bulk, format='extxyz')
+ ase.io.write(sys.stdout, bulk, format="extxyz")
- print('expanded cell energy', eexp)
- e_form = 0.5*(eexp - ebulk) / np.linalg.norm(np.cross(bulk.cell[0,:],bulk.cell[1,:]))
- print('unrelaxed 111 surface formation energy', e_form)
+ print("expanded cell energy", eexp)
+ e_form = (
+ 0.5
+ * (eexp - ebulk)
+ / np.linalg.norm(np.cross(bulk.cell[0, :], bulk.cell[1, :]))
+ )
+ print("unrelaxed 111 surface formation energy", e_form)
return e_form
+
# dictionary of computed properties - this is output of this test, to
# be compared with other models
@@ -59,7 +66,7 @@ def surface_energy(bulk, z_offset, opening):
openings = []
es = []
for i in range(n_steps + 1):
- opening = float(i)/float(n_steps)*max_opening
+ opening = float(i) / float(n_steps) * max_opening
openings.append(opening)
bulk_copy = bulk.copy()
bulk_copy.set_calculator(model.calculator)
@@ -68,8 +75,13 @@ def surface_energy(bulk, z_offset, opening):
print("openings ", openings)
print("es ", es)
from scipy import interpolate
+
spline = interpolate.splrep(openings, es, s=0)
stresses = [x for x in interpolate.splev(openings, spline, der=1)]
print("stresses ", stresses)
-properties = {'surface_decohesion_unrelaxed_opening': openings, 'surface_decohesion_unrelaxed_energy' : es, 'surface_decohesion_unrelaxed_stress' : stresses}
+properties = {
+ "surface_decohesion_unrelaxed_opening": openings,
+ "surface_decohesion_unrelaxed_energy": es,
+ "surface_decohesion_unrelaxed_stress": stresses,
+}
diff --git a/testingframework/tests/Si/surface-energy-110-relaxed/test.py b/testingframework/tests/Si/surface-energy-110-relaxed/test.py
new file mode 100644
index 000000000..c4c4be75c
--- /dev/null
+++ b/testingframework/tests/Si/surface-energy-110-relaxed/test.py
@@ -0,0 +1,106 @@
+# This script defines a test case which computes one or more physical
+# properties with a given model
+#
+# INPUTS:
+# model.calculator -- an ase.calculator.Calculator instance
+# this script can assume the calculator is checkpointed.
+#
+# OUTPUTS:
+# properties -- dictionary of key/value pairs corresponding
+# to physical quantities computed by this test
+
+# standard ASE structure generation routines
+from ase.lattice.cubic import Diamond
+import numpy as np
+
+import ase.io, sys
+
+# set of utility routines specific this this model/testing framework
+# from testingframework.share.utilities import relax_atoms, relax_atoms_cell
+from testingframework.share.utilities import relax_config
+
+# the current model
+import model
+
+a0 = 5.44 # initial guess at lattice constant, cell will be relaxed below
+fmax = 0.01 # maximum force following relaxtion [eV/A]
+
+if not hasattr(model, "bulk_reference"):
+ # set up the a
+ bulk = Diamond(symbol="Si", latticeconstant=a0)
+
+ # specify that we will use model.calculator to compute forces, energies and stresses
+ bulk.set_calculator(model.calculator)
+
+ # use one of the routines from testingframework.share.utilities module to relax the initial
+ # unit cell and atomic positions
+ # bulk = relax_atoms_cell(bulk, tol=fmax, traj_file=None)
+ bulk = relax_config(
+ bulk, relax_pos=True, relax_cell=True, tol=1.0e-4, traj_file=None
+ )
+else:
+ bulk = model.bulk_reference.copy()
+ bulk.set_calculator(model.calculator)
+
+a0 = bulk.cell[0, 0] # get lattice constant from relaxed bulk
+bulk = Diamond(
+ symbol="Si", latticeconstant=a0, directions=[[1, -1, 0], [0, 0, 1], [1, 1, 0]]
+)
+bulk.set_calculator(model.calculator)
+
+# set up supercell
+bulk *= (1, 1, 10)
+# flip coord system for ASE (precon minim?)
+c = bulk.get_cell()
+t_v = c[0, :].copy()
+c[0, :] = c[1, :]
+c[1, :] = t_v
+bulk.set_cell(c)
+
+ase.io.write(sys.stdout, bulk, format="extxyz")
+
+
+def surface_energy(bulk, z_offset):
+ Nat = bulk.get_number_of_atoms()
+
+ # shift so cut is through shuffle plane
+ bulk.positions[:, 2] += z_offset
+ bulk.wrap()
+
+ # relax atom positions, holding cell fixed
+ # vac = relax_atoms(vac, fmax=fmax)
+
+ # compute surface formation energy as difference of bulk and expanded cell
+ ebulk = bulk.get_potential_energy()
+ print("bulk cell energy", ebulk)
+
+ bulk.cell[2, 2] *= (np.abs(bulk.cell[2, 2]) + 10.0) / np.abs(bulk.cell[2, 2])
+
+ np.random.seed(75)
+
+ bulk.positions += (np.random.rand((Nat * 3)) * 0.1).reshape([Nat, 3])
+ bulk = relax_config(
+ bulk,
+ relax_pos=True,
+ relax_cell=True,
+ tol=fmax,
+ traj_file="model-" + model.name + "-surface-energy-110-relaxed.opt.xyz",
+ )
+
+ eexp = bulk.get_potential_energy()
+
+ ase.io.write(sys.stdout, bulk, format="extxyz")
+
+ print("expanded cell energy", eexp)
+ e_form = (
+ 0.5
+ * (eexp - ebulk)
+ / np.linalg.norm(np.cross(bulk.cell[0, :], bulk.cell[1, :]))
+ )
+ print("relaxed 110 surface formation energy", e_form)
+ return e_form
+
+
+# dictionary of computed properties - this is output of this test, to
+# be compared with other models
+properties = {"surface_energy_110_relaxed": surface_energy(bulk, 1.0)}
diff --git a/tests/Si/surface_Si_diamond_100/COMPUTATIONAL_COST b/testingframework/tests/Si/surface_Si_diamond_100/COMPUTATIONAL_COST
similarity index 100%
rename from tests/Si/surface_Si_diamond_100/COMPUTATIONAL_COST
rename to testingframework/tests/Si/surface_Si_diamond_100/COMPUTATIONAL_COST
diff --git a/tests/Si/surface_Si_diamond_100/surface.xyz b/testingframework/tests/Si/surface_Si_diamond_100/surface.xyz
similarity index 100%
rename from tests/Si/surface_Si_diamond_100/surface.xyz
rename to testingframework/tests/Si/surface_Si_diamond_100/surface.xyz
diff --git a/tests/Si/surface_Si_diamond_100/test.py b/testingframework/tests/Si/surface_Si_diamond_100/test.py
similarity index 100%
rename from tests/Si/surface_Si_diamond_100/test.py
rename to testingframework/tests/Si/surface_Si_diamond_100/test.py
diff --git a/tests/Si/surface_Si_diamond_110/surface.xyz b/testingframework/tests/Si/surface_Si_diamond_110/surface.xyz
similarity index 100%
rename from tests/Si/surface_Si_diamond_110/surface.xyz
rename to testingframework/tests/Si/surface_Si_diamond_110/surface.xyz
diff --git a/testingframework/tests/Si/surface_Si_diamond_110/test.py b/testingframework/tests/Si/surface_Si_diamond_110/test.py
new file mode 100644
index 000000000..a168a7db3
--- /dev/null
+++ b/testingframework/tests/Si/surface_Si_diamond_110/test.py
@@ -0,0 +1,115 @@
+# This script defines a test case which computes one or more physical
+# properties with a given model
+#
+# INPUTS:
+# model.calculator -- an ase.calculator.Calculator instance
+# this script can assume the calculator is checkpointed.
+#
+# OUTPUTS:
+# properties -- dictionary of key/value pairs corresponding
+# to physical quantities computed by this test
+
+# standard ASE structure generation routines
+from ase.lattice.cubic import Diamond
+import numpy as np
+
+import ase.io, sys
+
+# set of utility routines specific this this model/testing framework
+# from testingframework.share.utilities import relax_atoms, relax_atoms_cell
+from testingframework.share.utilities import relax_config, run_root
+
+# the current model
+import model
+
+a0 = 5.44 # initial guess at lattice constant, cell will be relaxed below
+fmax = 0.01 # maximum force following relaxtion [eV/A]
+
+if not hasattr(model, "bulk_reference"):
+ # set up the a
+ bulk = Diamond(symbol="Si", latticeconstant=a0)
+
+ # specify that we will use model.calculator to compute forces, energies and stresses
+ bulk.set_calculator(model.calculator)
+
+ # use one of the routines from testingframework.share.utilities module to relax the initial
+ # unit cell and atomic positions
+ # bulk = relax_atoms_cell(bulk, tol=fmax, traj_file=None)
+ bulk = relax_config(
+ bulk, relax_pos=True, relax_cell=True, tol=1.0e-4, traj_file=None
+ )
+else:
+ bulk = model.bulk_reference.copy()
+ bulk.set_calculator(model.calculator)
+
+a0 = bulk.cell[0, 0] # get lattice constant from relaxed bulk
+bulk = Diamond(
+ symbol="Si", latticeconstant=a0, directions=[[1, -1, 0], [0, 0, 1], [1, 1, 0]]
+)
+bulk.set_calculator(model.calculator)
+
+# set up supercell
+bulk *= (1, 1, 10)
+# flip coord system for ASE (precon minim?)
+c = bulk.get_cell()
+t_v = c[0, :].copy()
+c[0, :] = c[1, :]
+c[1, :] = t_v
+bulk.set_cell(c)
+
+ase.io.write(sys.stdout, bulk, format="extxyz")
+
+
+def surface_energy(bulk, z_offset):
+ Nat = bulk.get_number_of_atoms()
+
+ # shift so cut is through shuffle plane
+ bulk.positions[:, 2] += z_offset
+ bulk.wrap()
+
+ # relax atom positions, holding cell fixed
+ # vac = relax_atoms(vac, fmax=fmax)
+
+ # compute surface formation energy as difference of bulk and expanded cell
+ ebulk = bulk.get_potential_energy()
+ print("bulk cell energy", ebulk)
+
+ bulk.cell[2, 2] *= (np.abs(bulk.cell[2, 2]) + 10.0) / np.abs(bulk.cell[2, 2])
+
+ np.random.seed(75)
+
+ bulk.positions += (np.random.rand((Nat * 3)) * 0.1).reshape([Nat, 3])
+ bulk = relax_config(
+ bulk,
+ relax_pos=True,
+ relax_cell=True,
+ tol=fmax,
+ traj_file=run_root + "-surface-energy-110-relaxed.opt.xyz",
+ )
+
+ eexp = bulk.get_potential_energy()
+
+ ase.io.write(sys.stdout, bulk, format="extxyz")
+
+ print("expanded cell energy", eexp)
+ e_form = (
+ 0.5
+ * (eexp - ebulk)
+ / np.linalg.norm(np.cross(bulk.cell[0, :], bulk.cell[1, :]))
+ )
+ print("relaxed 110 surface formation energy", e_form)
+ return e_form
+
+
+# dictionary of computed properties - this is output of this test, to
+# be compared with other models
+
+properties = {
+ "bulk_struct_test": "bulk_Si_diamond",
+ "Ef": surface_energy(bulk, 1.0),
+ "dmu": 0.0,
+ "filename": run_root + "-surface-energy-110-relaxed.opt.xyz",
+}
+
+# properties = {'surface_energy_110_relaxed':
+# surface_energy(bulk, 1.0) }
diff --git a/tests/Si/surface_Si_diamond_110/test_old.py b/testingframework/tests/Si/surface_Si_diamond_110/test_old.py
similarity index 100%
rename from tests/Si/surface_Si_diamond_110/test_old.py
rename to testingframework/tests/Si/surface_Si_diamond_110/test_old.py
diff --git a/tests/Si/surface_Si_diamond_111/COMPUTATIONAL_COST b/testingframework/tests/Si/surface_Si_diamond_111/COMPUTATIONAL_COST
similarity index 100%
rename from tests/Si/surface_Si_diamond_111/COMPUTATIONAL_COST
rename to testingframework/tests/Si/surface_Si_diamond_111/COMPUTATIONAL_COST
diff --git a/tests/Si/surface_Si_diamond_111/README b/testingframework/tests/Si/surface_Si_diamond_111/README
similarity index 100%
rename from tests/Si/surface_Si_diamond_111/README
rename to testingframework/tests/Si/surface_Si_diamond_111/README
diff --git a/tests/Si/surface_Si_diamond_111/surface.xyz b/testingframework/tests/Si/surface_Si_diamond_111/surface.xyz
similarity index 100%
rename from tests/Si/surface_Si_diamond_111/surface.xyz
rename to testingframework/tests/Si/surface_Si_diamond_111/surface.xyz
diff --git a/tests/Si/surface_Si_diamond_111/test.py b/testingframework/tests/Si/surface_Si_diamond_111/test.py
similarity index 100%
rename from tests/Si/surface_Si_diamond_111/test.py
rename to testingframework/tests/Si/surface_Si_diamond_111/test.py
diff --git a/tests/SiC/bulk_15R/bulk.xyz b/testingframework/tests/SiC/bulk_15R/bulk.xyz
similarity index 100%
rename from tests/SiC/bulk_15R/bulk.xyz
rename to testingframework/tests/SiC/bulk_15R/bulk.xyz
diff --git a/testingframework/tests/SiC/bulk_15R/test.py b/testingframework/tests/SiC/bulk_15R/test.py
new file mode 100644
index 000000000..1ca9d829b
--- /dev/null
+++ b/testingframework/tests/SiC/bulk_15R/test.py
@@ -0,0 +1,3 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), "trigonal")
diff --git a/tests/SiC/bulk_19H/bulk.xyz b/testingframework/tests/SiC/bulk_19H/bulk.xyz
similarity index 100%
rename from tests/SiC/bulk_19H/bulk.xyz
rename to testingframework/tests/SiC/bulk_19H/bulk.xyz
diff --git a/testingframework/tests/SiC/bulk_19H/test.py b/testingframework/tests/SiC/bulk_19H/test.py
new file mode 100644
index 000000000..812709da4
--- /dev/null
+++ b/testingframework/tests/SiC/bulk_19H/test.py
@@ -0,0 +1,3 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), "hexagonal")
diff --git a/tests/SiC/bulk_2H/bulk.xyz b/testingframework/tests/SiC/bulk_2H/bulk.xyz
similarity index 100%
rename from tests/SiC/bulk_2H/bulk.xyz
rename to testingframework/tests/SiC/bulk_2H/bulk.xyz
diff --git a/testingframework/tests/SiC/bulk_2H/test.py b/testingframework/tests/SiC/bulk_2H/test.py
new file mode 100644
index 000000000..812709da4
--- /dev/null
+++ b/testingframework/tests/SiC/bulk_2H/test.py
@@ -0,0 +1,3 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), "hexagonal")
diff --git a/tests/SiC/bulk_3C/bulk.xyz b/testingframework/tests/SiC/bulk_3C/bulk.xyz
similarity index 100%
rename from tests/SiC/bulk_3C/bulk.xyz
rename to testingframework/tests/SiC/bulk_3C/bulk.xyz
diff --git a/testingframework/tests/SiC/bulk_3C/test.py b/testingframework/tests/SiC/bulk_3C/test.py
new file mode 100644
index 000000000..6688d2917
--- /dev/null
+++ b/testingframework/tests/SiC/bulk_3C/test.py
@@ -0,0 +1,3 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), "cubic")
diff --git a/tests/SiC/bulk_4H/bulk.xyz b/testingframework/tests/SiC/bulk_4H/bulk.xyz
similarity index 100%
rename from tests/SiC/bulk_4H/bulk.xyz
rename to testingframework/tests/SiC/bulk_4H/bulk.xyz
diff --git a/testingframework/tests/SiC/bulk_4H/test.py b/testingframework/tests/SiC/bulk_4H/test.py
new file mode 100644
index 000000000..812709da4
--- /dev/null
+++ b/testingframework/tests/SiC/bulk_4H/test.py
@@ -0,0 +1,3 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), "hexagonal")
diff --git a/tests/SiC/bulk_6H/bulk.xyz b/testingframework/tests/SiC/bulk_6H/bulk.xyz
similarity index 100%
rename from tests/SiC/bulk_6H/bulk.xyz
rename to testingframework/tests/SiC/bulk_6H/bulk.xyz
diff --git a/testingframework/tests/SiC/bulk_6H/test.py b/testingframework/tests/SiC/bulk_6H/test.py
new file mode 100644
index 000000000..e3ba672f2
--- /dev/null
+++ b/testingframework/tests/SiC/bulk_6H/test.py
@@ -0,0 +1,5 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(
+ os.path.abspath(os.path.dirname(__file__)), "hexagonal"
+) # , method='sd2') - for Brenner # To be fixed soon
diff --git a/tests/SiC/bulk_cesiumchloride/bulk.xyz b/testingframework/tests/SiC/bulk_cesiumchloride/bulk.xyz
similarity index 100%
rename from tests/SiC/bulk_cesiumchloride/bulk.xyz
rename to testingframework/tests/SiC/bulk_cesiumchloride/bulk.xyz
diff --git a/testingframework/tests/SiC/bulk_cesiumchloride/test.py b/testingframework/tests/SiC/bulk_cesiumchloride/test.py
new file mode 100644
index 000000000..6688d2917
--- /dev/null
+++ b/testingframework/tests/SiC/bulk_cesiumchloride/test.py
@@ -0,0 +1,3 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), "cubic")
diff --git a/tests/SiC/bulk_rocksalt/bulk.xyz b/testingframework/tests/SiC/bulk_rocksalt/bulk.xyz
similarity index 100%
rename from tests/SiC/bulk_rocksalt/bulk.xyz
rename to testingframework/tests/SiC/bulk_rocksalt/bulk.xyz
diff --git a/testingframework/tests/SiC/bulk_rocksalt/test.py b/testingframework/tests/SiC/bulk_rocksalt/test.py
new file mode 100644
index 000000000..6688d2917
--- /dev/null
+++ b/testingframework/tests/SiC/bulk_rocksalt/test.py
@@ -0,0 +1,3 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), "cubic")
diff --git a/tests/Ti/bulk_Ti_bcc/COMPUTATIONAL_COST b/testingframework/tests/Ti/bulk_Ti_bcc/COMPUTATIONAL_COST
similarity index 100%
rename from tests/Ti/bulk_Ti_bcc/COMPUTATIONAL_COST
rename to testingframework/tests/Ti/bulk_Ti_bcc/COMPUTATIONAL_COST
diff --git a/tests/Ti/bulk_Ti_bcc/bulk.xyz b/testingframework/tests/Ti/bulk_Ti_bcc/bulk.xyz
similarity index 100%
rename from tests/Ti/bulk_Ti_bcc/bulk.xyz
rename to testingframework/tests/Ti/bulk_Ti_bcc/bulk.xyz
diff --git a/testingframework/tests/Ti/bulk_Ti_bcc/test.py b/testingframework/tests/Ti/bulk_Ti_bcc/test.py
new file mode 100644
index 000000000..6688d2917
--- /dev/null
+++ b/testingframework/tests/Ti/bulk_Ti_bcc/test.py
@@ -0,0 +1,3 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), "cubic")
diff --git a/tests/Ti/bulk_Ti_hcp/COMPUTATIONAL_COST b/testingframework/tests/Ti/bulk_Ti_hcp/COMPUTATIONAL_COST
similarity index 100%
rename from tests/Ti/bulk_Ti_hcp/COMPUTATIONAL_COST
rename to testingframework/tests/Ti/bulk_Ti_hcp/COMPUTATIONAL_COST
diff --git a/tests/Ti/bulk_Ti_hcp/bulk.xyz b/testingframework/tests/Ti/bulk_Ti_hcp/bulk.xyz
similarity index 100%
rename from tests/Ti/bulk_Ti_hcp/bulk.xyz
rename to testingframework/tests/Ti/bulk_Ti_hcp/bulk.xyz
diff --git a/testingframework/tests/Ti/bulk_Ti_hcp/test.py b/testingframework/tests/Ti/bulk_Ti_hcp/test.py
new file mode 100644
index 000000000..c27695a64
--- /dev/null
+++ b/testingframework/tests/Ti/bulk_Ti_hcp/test.py
@@ -0,0 +1,5 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(
+ os.path.abspath(os.path.dirname(__file__)), "tetragonal"
+)
diff --git a/tests/Ti/bulk_Ti_omega/COMPUTATIONAL_COST b/testingframework/tests/Ti/bulk_Ti_omega/COMPUTATIONAL_COST
similarity index 100%
rename from tests/Ti/bulk_Ti_omega/COMPUTATIONAL_COST
rename to testingframework/tests/Ti/bulk_Ti_omega/COMPUTATIONAL_COST
diff --git a/tests/Ti/bulk_Ti_omega/bulk.xyz b/testingframework/tests/Ti/bulk_Ti_omega/bulk.xyz
similarity index 100%
rename from tests/Ti/bulk_Ti_omega/bulk.xyz
rename to testingframework/tests/Ti/bulk_Ti_omega/bulk.xyz
diff --git a/testingframework/tests/Ti/bulk_Ti_omega/test.py b/testingframework/tests/Ti/bulk_Ti_omega/test.py
new file mode 100644
index 000000000..c27695a64
--- /dev/null
+++ b/testingframework/tests/Ti/bulk_Ti_omega/test.py
@@ -0,0 +1,5 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(
+ os.path.abspath(os.path.dirname(__file__)), "tetragonal"
+)
diff --git a/tests/Ti/point_defect_Ti_hcp_vacancy/COMPUTATIONAL_COST b/testingframework/tests/Ti/point_defect_Ti_hcp_vacancy/COMPUTATIONAL_COST
similarity index 100%
rename from tests/Ti/point_defect_Ti_hcp_vacancy/COMPUTATIONAL_COST
rename to testingframework/tests/Ti/point_defect_Ti_hcp_vacancy/COMPUTATIONAL_COST
diff --git a/tests/Ti/point_defect_Ti_hcp_vacancy/bulk_supercell.xyz b/testingframework/tests/Ti/point_defect_Ti_hcp_vacancy/bulk_supercell.xyz
similarity index 100%
rename from tests/Ti/point_defect_Ti_hcp_vacancy/bulk_supercell.xyz
rename to testingframework/tests/Ti/point_defect_Ti_hcp_vacancy/bulk_supercell.xyz
diff --git a/testingframework/tests/Ti/point_defect_Ti_hcp_vacancy/test.py b/testingframework/tests/Ti/point_defect_Ti_hcp_vacancy/test.py
new file mode 100644
index 000000000..2b45996a3
--- /dev/null
+++ b/testingframework/tests/Ti/point_defect_Ti_hcp_vacancy/test.py
@@ -0,0 +1,5 @@
+import os.path, vacancy
+
+properties = vacancy.do_all_vacancies(
+ os.path.abspath(os.path.dirname(__file__)), nn_cutoff=3.5
+)
diff --git a/tests/Ti/surface_Ti_hcp_0001/COMPUTATIONAL_COST b/testingframework/tests/Ti/surface_Ti_hcp_0001/COMPUTATIONAL_COST
similarity index 100%
rename from tests/Ti/surface_Ti_hcp_0001/COMPUTATIONAL_COST
rename to testingframework/tests/Ti/surface_Ti_hcp_0001/COMPUTATIONAL_COST
diff --git a/tests/Ti/surface_Ti_hcp_0001/surface.xyz b/testingframework/tests/Ti/surface_Ti_hcp_0001/surface.xyz
similarity index 100%
rename from tests/Ti/surface_Ti_hcp_0001/surface.xyz
rename to testingframework/tests/Ti/surface_Ti_hcp_0001/surface.xyz
diff --git a/tests/Ti/surface_Ti_hcp_0001/test.py b/testingframework/tests/Ti/surface_Ti_hcp_0001/test.py
similarity index 100%
rename from tests/Ti/surface_Ti_hcp_0001/test.py
rename to testingframework/tests/Ti/surface_Ti_hcp_0001/test.py
diff --git a/tests/TiAl/bulk_Al_fcc/bulk.xyz b/testingframework/tests/TiAl/bulk_Al_fcc/bulk.xyz
similarity index 100%
rename from tests/TiAl/bulk_Al_fcc/bulk.xyz
rename to testingframework/tests/TiAl/bulk_Al_fcc/bulk.xyz
diff --git a/testingframework/tests/TiAl/bulk_Al_fcc/test.py b/testingframework/tests/TiAl/bulk_Al_fcc/test.py
new file mode 100644
index 000000000..6688d2917
--- /dev/null
+++ b/testingframework/tests/TiAl/bulk_Al_fcc/test.py
@@ -0,0 +1,3 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), "cubic")
diff --git a/tests/TiAl/bulk_Ti3Al/bulk.xyz b/testingframework/tests/TiAl/bulk_Ti3Al/bulk.xyz
similarity index 100%
rename from tests/TiAl/bulk_Ti3Al/bulk.xyz
rename to testingframework/tests/TiAl/bulk_Ti3Al/bulk.xyz
diff --git a/testingframework/tests/TiAl/bulk_Ti3Al/test.py b/testingframework/tests/TiAl/bulk_Ti3Al/test.py
new file mode 100644
index 000000000..c27695a64
--- /dev/null
+++ b/testingframework/tests/TiAl/bulk_Ti3Al/test.py
@@ -0,0 +1,5 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(
+ os.path.abspath(os.path.dirname(__file__)), "tetragonal"
+)
diff --git a/tests/TiAl/bulk_TiAl/bulk.xyz b/testingframework/tests/TiAl/bulk_TiAl/bulk.xyz
similarity index 100%
rename from tests/TiAl/bulk_TiAl/bulk.xyz
rename to testingframework/tests/TiAl/bulk_TiAl/bulk.xyz
diff --git a/testingframework/tests/TiAl/bulk_TiAl/test.py b/testingframework/tests/TiAl/bulk_TiAl/test.py
new file mode 100644
index 000000000..6688d2917
--- /dev/null
+++ b/testingframework/tests/TiAl/bulk_TiAl/test.py
@@ -0,0 +1,3 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), "cubic")
diff --git a/tests/TiAl/bulk_TiAl3/bulk.xyz b/testingframework/tests/TiAl/bulk_TiAl3/bulk.xyz
similarity index 100%
rename from tests/TiAl/bulk_TiAl3/bulk.xyz
rename to testingframework/tests/TiAl/bulk_TiAl3/bulk.xyz
diff --git a/testingframework/tests/TiAl/bulk_TiAl3/test.py b/testingframework/tests/TiAl/bulk_TiAl3/test.py
new file mode 100644
index 000000000..c27695a64
--- /dev/null
+++ b/testingframework/tests/TiAl/bulk_TiAl3/test.py
@@ -0,0 +1,5 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(
+ os.path.abspath(os.path.dirname(__file__)), "tetragonal"
+)
diff --git a/tests/TiAl/bulk_Ti_bcc/bulk.xyz b/testingframework/tests/TiAl/bulk_Ti_bcc/bulk.xyz
similarity index 100%
rename from tests/TiAl/bulk_Ti_bcc/bulk.xyz
rename to testingframework/tests/TiAl/bulk_Ti_bcc/bulk.xyz
diff --git a/testingframework/tests/TiAl/bulk_Ti_bcc/test.py b/testingframework/tests/TiAl/bulk_Ti_bcc/test.py
new file mode 100644
index 000000000..6688d2917
--- /dev/null
+++ b/testingframework/tests/TiAl/bulk_Ti_bcc/test.py
@@ -0,0 +1,3 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), "cubic")
diff --git a/tests/TiAl/bulk_Ti_hcp/bulk.xyz b/testingframework/tests/TiAl/bulk_Ti_hcp/bulk.xyz
similarity index 100%
rename from tests/TiAl/bulk_Ti_hcp/bulk.xyz
rename to testingframework/tests/TiAl/bulk_Ti_hcp/bulk.xyz
diff --git a/testingframework/tests/TiAl/bulk_Ti_hcp/test.py b/testingframework/tests/TiAl/bulk_Ti_hcp/test.py
new file mode 100644
index 000000000..c27695a64
--- /dev/null
+++ b/testingframework/tests/TiAl/bulk_Ti_hcp/test.py
@@ -0,0 +1,5 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(
+ os.path.abspath(os.path.dirname(__file__)), "tetragonal"
+)
diff --git a/tests/TiAlV/bulk_TiAlV_bcc/bulk.xyz b/testingframework/tests/TiAlV/bulk_TiAlV_bcc/bulk.xyz
similarity index 100%
rename from tests/TiAlV/bulk_TiAlV_bcc/bulk.xyz
rename to testingframework/tests/TiAlV/bulk_TiAlV_bcc/bulk.xyz
diff --git a/testingframework/tests/TiAlV/bulk_TiAlV_bcc/test.py b/testingframework/tests/TiAlV/bulk_TiAlV_bcc/test.py
new file mode 100644
index 000000000..6688d2917
--- /dev/null
+++ b/testingframework/tests/TiAlV/bulk_TiAlV_bcc/test.py
@@ -0,0 +1,3 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), "cubic")
diff --git a/tests/TiAlV/bulk_TiAlV_hcp/bulk.xyz b/testingframework/tests/TiAlV/bulk_TiAlV_hcp/bulk.xyz
similarity index 100%
rename from tests/TiAlV/bulk_TiAlV_hcp/bulk.xyz
rename to testingframework/tests/TiAlV/bulk_TiAlV_hcp/bulk.xyz
diff --git a/testingframework/tests/TiAlV/bulk_TiAlV_hcp/test.py b/testingframework/tests/TiAlV/bulk_TiAlV_hcp/test.py
new file mode 100644
index 000000000..6688d2917
--- /dev/null
+++ b/testingframework/tests/TiAlV/bulk_TiAlV_hcp/test.py
@@ -0,0 +1,3 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), "cubic")
diff --git a/tests/V/bulk_V_bcc/bulk.xyz b/testingframework/tests/V/bulk_V_bcc/bulk.xyz
similarity index 100%
rename from tests/V/bulk_V_bcc/bulk.xyz
rename to testingframework/tests/V/bulk_V_bcc/bulk.xyz
diff --git a/tests/V/bulk_V_bcc/log.lammps b/testingframework/tests/V/bulk_V_bcc/log.lammps
similarity index 100%
rename from tests/V/bulk_V_bcc/log.lammps
rename to testingframework/tests/V/bulk_V_bcc/log.lammps
diff --git a/testingframework/tests/V/bulk_V_bcc/test.py b/testingframework/tests/V/bulk_V_bcc/test.py
new file mode 100644
index 000000000..6688d2917
--- /dev/null
+++ b/testingframework/tests/V/bulk_V_bcc/test.py
@@ -0,0 +1,3 @@
+import os.path, lattice
+
+properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), "cubic")
diff --git a/tests/Al/RSS/test.py b/tests/Al/RSS/test.py
deleted file mode 100644
index 2a39daa14..000000000
--- a/tests/Al/RSS/test.py
+++ /dev/null
@@ -1,4 +0,0 @@
-import os.path
-from RSS import do_RSS
-
-properties = do_RSS(os.path.join(os.path.abspath(os.path.dirname(__file__)),'random_structs.extxyz'),':')
diff --git a/tests/B/bulk_B_aGa/test.py b/tests/B/bulk_B_aGa/test.py
deleted file mode 100644
index cc2c219f1..000000000
--- a/tests/B/bulk_B_aGa/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'orthorhombic')
diff --git a/tests/B/bulk_B_gB28/test.py b/tests/B/bulk_B_gB28/test.py
deleted file mode 100644
index cc2c219f1..000000000
--- a/tests/B/bulk_B_gB28/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'orthorhombic')
diff --git a/tests/B/point_defect_B_aB12_single_cell_vacancy/test.py b/tests/B/point_defect_B_aB12_single_cell_vacancy/test.py
deleted file mode 100644
index 95a5ebfb0..000000000
--- a/tests/B/point_defect_B_aB12_single_cell_vacancy/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, vacancy
-
-properties = vacancy.do_all_vacancies(os.path.abspath(os.path.dirname(__file__)), nn_cutoff=2.7)
diff --git a/tests/B/point_defect_B_aB12_vacancy/test.py b/tests/B/point_defect_B_aB12_vacancy/test.py
deleted file mode 100644
index 95a5ebfb0..000000000
--- a/tests/B/point_defect_B_aB12_vacancy/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, vacancy
-
-properties = vacancy.do_all_vacancies(os.path.abspath(os.path.dirname(__file__)), nn_cutoff=2.7)
diff --git a/tests/CH4/atomisation/test.py b/tests/CH4/atomisation/test.py
deleted file mode 100644
index 4e3af84a3..000000000
--- a/tests/CH4/atomisation/test.py
+++ /dev/null
@@ -1,10 +0,0 @@
-from utilities import path_of_file, evaluate_file
-
-filenamelist = ["atomisation_1.xyz", "atomisation_2.xyz", "atomisation_3.xyz", "atomisation_4.xyz"]
-
-for filename in filenamelist:
- evaluate_file(path_of_file(__file__)+"/"+filename)
-
-properties = {"files": filenamelist}
-
-
diff --git a/tests/CSiGe/bulk_SiGeC_zincblende/test.py b/tests/CSiGe/bulk_SiGeC_zincblende/test.py
deleted file mode 100644
index 5539f31c5..000000000
--- a/tests/CSiGe/bulk_SiGeC_zincblende/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'cubic')
diff --git a/tests/CSiGe/bulk_SiGe_zincblende/test.py b/tests/CSiGe/bulk_SiGe_zincblende/test.py
deleted file mode 100644
index 5539f31c5..000000000
--- a/tests/CSiGe/bulk_SiGe_zincblende/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'cubic')
diff --git a/tests/CSiGe/bulk_Si_diamond/test.py b/tests/CSiGe/bulk_Si_diamond/test.py
deleted file mode 100644
index 5539f31c5..000000000
--- a/tests/CSiGe/bulk_Si_diamond/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'cubic')
diff --git a/tests/CSiGe/vacancy_Ge_diamond/test.py b/tests/CSiGe/vacancy_Ge_diamond/test.py
deleted file mode 100644
index 95a5ebfb0..000000000
--- a/tests/CSiGe/vacancy_Ge_diamond/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, vacancy
-
-properties = vacancy.do_all_vacancies(os.path.abspath(os.path.dirname(__file__)), nn_cutoff=2.7)
diff --git a/tests/CSiGe/vacancy_SiC_zincblende/test.py b/tests/CSiGe/vacancy_SiC_zincblende/test.py
deleted file mode 100644
index 95a5ebfb0..000000000
--- a/tests/CSiGe/vacancy_SiC_zincblende/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, vacancy
-
-properties = vacancy.do_all_vacancies(os.path.abspath(os.path.dirname(__file__)), nn_cutoff=2.7)
diff --git a/tests/CSiGe/vacancy_SiGeC_zincblende/test.py b/tests/CSiGe/vacancy_SiGeC_zincblende/test.py
deleted file mode 100644
index 95a5ebfb0..000000000
--- a/tests/CSiGe/vacancy_SiGeC_zincblende/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, vacancy
-
-properties = vacancy.do_all_vacancies(os.path.abspath(os.path.dirname(__file__)), nn_cutoff=2.7)
diff --git a/tests/CSiGe/vacancy_Si_diamond/test.py b/tests/CSiGe/vacancy_Si_diamond/test.py
deleted file mode 100644
index 95a5ebfb0..000000000
--- a/tests/CSiGe/vacancy_Si_diamond/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, vacancy
-
-properties = vacancy.do_all_vacancies(os.path.abspath(os.path.dirname(__file__)), nn_cutoff=2.7)
diff --git a/tests/GeSbTe/Ge_diamond_compression/test.py b/tests/GeSbTe/Ge_diamond_compression/test.py
deleted file mode 100644
index f384119aa..000000000
--- a/tests/GeSbTe/Ge_diamond_compression/test.py
+++ /dev/null
@@ -1,28 +0,0 @@
-import os.path, ase.io
-from utilities import relax_config, run_root
-import random
-import quippy
-
-test_dir = os.path.abspath(os.path.dirname(__file__))
-
-bulk = ase.io.read(os.path.join(test_dir,"bulk.xyz"), format="extxyz")
-tol=1.0e-3 # hack to work around bad convergence
-relaxed_bulk = relax_config(bulk, relax_pos=True, relax_cell=True, tol=tol,
- traj_file=None, config_label='bulk', from_base_model=True, save_config=True)
-relaxed_bulk_pe = relaxed_bulk.get_potential_energy()/len(bulk)
-
-orig_cell = relaxed_bulk.get_cell()
-energies = []
-ns=20
-for i in range(0,ns+1):
- l_factor = 1.0-0.5*float(i)/float(ns)
- relaxed_bulk.set_cell(orig_cell*l_factor, True)
- qrb = quippy.Atoms(relaxed_bulk)
- qrb.set_cutoff(3.0)
- qrb.calc_connect()
- try:
- energies.append([ min([nn.distance for nn in qrb.neighbours[1]]), relaxed_bulk.get_potential_energy()/len(relaxed_bulk) ])
- except:
- break
-
-properties={ 'unrelaxed_energies' : energies }
diff --git a/tests/GeSbTe/bulk_Ge2Sb2Te5_P1_Kooi/test.py b/tests/GeSbTe/bulk_Ge2Sb2Te5_P1_Kooi/test.py
deleted file mode 100644
index 7069e382d..000000000
--- a/tests/GeSbTe/bulk_Ge2Sb2Te5_P1_Kooi/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'tetragonal')
diff --git a/tests/GeSbTe/bulk_GeTe_Fm-3m/test.py b/tests/GeSbTe/bulk_GeTe_Fm-3m/test.py
deleted file mode 100644
index 5539f31c5..000000000
--- a/tests/GeSbTe/bulk_GeTe_Fm-3m/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'cubic')
diff --git a/tests/GeSbTe/bulk_GeTe_R3m/test.py b/tests/GeSbTe/bulk_GeTe_R3m/test.py
deleted file mode 100644
index 7069e382d..000000000
--- a/tests/GeSbTe/bulk_GeTe_R3m/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'tetragonal')
diff --git a/tests/GeSbTe/bulk_Ge_diamond/test.py b/tests/GeSbTe/bulk_Ge_diamond/test.py
deleted file mode 100644
index 5539f31c5..000000000
--- a/tests/GeSbTe/bulk_Ge_diamond/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'cubic')
diff --git a/tests/GeSbTe/bulk_Sb2Te3_R-3m/test.py b/tests/GeSbTe/bulk_Sb2Te3_R-3m/test.py
deleted file mode 100644
index 7069e382d..000000000
--- a/tests/GeSbTe/bulk_Sb2Te3_R-3m/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'tetragonal')
diff --git a/tests/GeSbTe/bulk_Sb2Te_P-3m1/test.py b/tests/GeSbTe/bulk_Sb2Te_P-3m1/test.py
deleted file mode 100644
index 7069e382d..000000000
--- a/tests/GeSbTe/bulk_Sb2Te_P-3m1/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'tetragonal')
diff --git a/tests/GeSbTe/bulk_Sb_alpha-As/test.py b/tests/GeSbTe/bulk_Sb_alpha-As/test.py
deleted file mode 100644
index 7069e382d..000000000
--- a/tests/GeSbTe/bulk_Sb_alpha-As/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'tetragonal')
diff --git a/tests/GeSbTe/bulk_Te_C2_slash_m/test.py b/tests/GeSbTe/bulk_Te_C2_slash_m/test.py
deleted file mode 100644
index 7069e382d..000000000
--- a/tests/GeSbTe/bulk_Te_C2_slash_m/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'tetragonal')
diff --git a/tests/GeSbTe/bulk_Te_P3_121/test.py b/tests/GeSbTe/bulk_Te_P3_121/test.py
deleted file mode 100644
index 7069e382d..000000000
--- a/tests/GeSbTe/bulk_Te_P3_121/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'tetragonal')
diff --git a/tests/GeSbTe/bulk_Te_Pm3m/test.py b/tests/GeSbTe/bulk_Te_Pm3m/test.py
deleted file mode 100755
index 5539f31c5..000000000
--- a/tests/GeSbTe/bulk_Te_Pm3m/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'cubic')
diff --git a/tests/GeSbTe/bulk_Te_Pmcm/test.py b/tests/GeSbTe/bulk_Te_Pmcm/test.py
deleted file mode 100644
index cc2c219f1..000000000
--- a/tests/GeSbTe/bulk_Te_Pmcm/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'orthorhombic')
diff --git a/tests/GeSbTe/chemical_order_GeTe_Fm-3m/test.py b/tests/GeSbTe/chemical_order_GeTe_Fm-3m/test.py
deleted file mode 100644
index 30be890cb..000000000
--- a/tests/GeSbTe/chemical_order_GeTe_Fm-3m/test.py
+++ /dev/null
@@ -1,33 +0,0 @@
-import os.path, ase.io
-from utilities import relax_config, run_root
-import random, sys, model
-
-test_dir = os.path.abspath(os.path.dirname(__file__))
-
-bulk = ase.io.read(os.path.join(test_dir,"bulk.xyz"), format="extxyz")
-tol=1.0e-3
-relaxed_bulk = relax_config(bulk, relax_pos=True, relax_cell=True, tol=tol,
- traj_file=None, config_label='bulk', from_base_model=True, save_config=True, keep_symmetry=True)
-relaxed_bulk_pe = relaxed_bulk.get_potential_energy()/len(relaxed_bulk)
-ase.io.write(sys.stdout, relaxed_bulk, format="extxyz")
-
-tol=2.0e-3 # hack to work around convergence issues
-antisites = relaxed_bulk * (2,2,2)
-
-random.seed(10)
-unrelaxed_energies = []
-relaxed_energies = []
-for config_i in range(20):
- Z = antisites.get_atomic_numbers()
- (i1, i2) = random.sample(range(len(antisites)),2)
- while Z[i1] == Z[i2]:
- (i1, i2) = random.sample(range(len(antisites)),2)
- t_Z = Z[i1]
- Z[i1] = Z[i2]
- Z[i2] = t_Z
- antisites.set_atomic_numbers(Z)
- ase.io.write(sys.stdout, antisites, format="extxyz")
- antisites.set_calculator(model.calculator)
- unrelaxed_energies.append(antisites.get_potential_energy()/len(antisites)-relaxed_bulk_pe)
-
-properties = { 'unrelaxed_energy_per_atom' : unrelaxed_energies }
diff --git a/tests/GeSbTe/chemical_order_GeTe_R3m/test.py b/tests/GeSbTe/chemical_order_GeTe_R3m/test.py
deleted file mode 100644
index 90e01c6fb..000000000
--- a/tests/GeSbTe/chemical_order_GeTe_R3m/test.py
+++ /dev/null
@@ -1,39 +0,0 @@
-import os.path, ase.io
-from utilities import relax_config, run_root
-import random, sys, model
-
-test_dir = os.path.abspath(os.path.dirname(__file__))
-
-bulk = ase.io.read(os.path.join(test_dir,"bulk.xyz"), format="extxyz")
-tol=1.0e-3
-relaxed_bulk = relax_config(bulk, relax_pos=True, relax_cell=True, tol=tol,
- traj_file=None, config_label='bulk', from_base_model=True, save_config=True, keep_symmetry=True)
-relaxed_bulk_pe = relaxed_bulk.get_potential_energy()/len(relaxed_bulk)
-ase.io.write(sys.stdout, relaxed_bulk, format="extxyz")
-
-tol=1.0e-2 # hack to work around convergence issues
-antisites = relaxed_bulk * (2,2,2)
-
-random.seed(10)
-unrelaxed_energies = []
-relaxed_energies = []
-for config_i in range(20):
- Z = antisites.get_atomic_numbers()
- (i1, i2) = random.sample(range(len(antisites)),2)
- while Z[i1] == Z[i2]:
- (i1, i2) = random.sample(range(len(antisites)),2)
- t_Z = Z[i1]
- Z[i1] = Z[i2]
- Z[i2] = t_Z
- antisites.set_atomic_numbers(Z)
- ase.io.write(sys.stdout, antisites, format="extxyz")
- antisites.set_calculator(model.calculator)
- unrelaxed_energies.append(antisites.get_potential_energy()/len(antisites)-relaxed_bulk_pe)
- relaxed_antisites = antisites.copy()
- relaxed_antisites = relax_config(relaxed_antisites, relax_pos=True, relax_cell=True, tol=tol,
- traj_file=None, config_label='supercell_antisite_{}'.format(config_i), from_base_model=True, save_config=True)
- relaxed_energies.append(relaxed_antisites.get_potential_energy()/len(antisites)-relaxed_bulk_pe)
- ase.io.write(sys.stdout, relaxed_antisites, format="extxyz")
-
-properties = { 'unrelaxed_energy_per_atom' : unrelaxed_energies,
- 'relaxed_energy_per_atom' : relaxed_energies }
diff --git a/tests/Li/phonon_bulks/test.py b/tests/Li/phonon_bulks/test.py
deleted file mode 100644
index 98c98a693..000000000
--- a/tests/Li/phonon_bulks/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-from phonons import *
-
-properties = do_phonons(['bulk_Li_fcc','bulk_Li_bcc'], n_supercell=6, band_paths=['GXKGL','NGHPG'])
diff --git a/tests/P/EFV_test/test.py b/tests/P/EFV_test/test.py
deleted file mode 100644
index 3da02ff5f..000000000
--- a/tests/P/EFV_test/test.py
+++ /dev/null
@@ -1,10 +0,0 @@
-from utilities import path_of_file, evaluate_file
-
-filenamelist = ["P_test_set.xyz", "Hittorf_ActaB1969_isolated_layer.xyz", "Hittorf_Angew2020_isolated_layer.xyz", "phosphorene_ribbon_armchair.xyz", "phosphorene_ribbon_zigzag.xyz", "phosphorene_ribbon_single_layer.xyz"]
-
-for filename in filenamelist:
- evaluate_file(path_of_file(__file__)+"/"+filename)
-
-properties = {"files": filenamelist}
-
-
diff --git a/tests/P/Hittorf_exfoliation/test.py b/tests/P/Hittorf_exfoliation/test.py
deleted file mode 100644
index 356644307..000000000
--- a/tests/P/Hittorf_exfoliation/test.py
+++ /dev/null
@@ -1,10 +0,0 @@
-from utilities import path_of_file, evaluate_file
-
-filenamelist = ["Hittorf_scan_ActaB1969_mbd.xyz", "Hittorf_scan_Angew2020_mbd.xyz", "Hittorf_ActaB1969.vasp_STEPS.xyz", "Hittorf_Angew2020.vasp_STEPS.xyz"]
-
-for filename in filenamelist:
- evaluate_file(path_of_file(__file__)+"/"+filename)
-
-properties = {"files": filenamelist}
-
-
diff --git a/tests/P/P4_scans/make_scans.py b/tests/P/P4_scans/make_scans.py
deleted file mode 100644
index c00e768e8..000000000
--- a/tests/P/P4_scans/make_scans.py
+++ /dev/null
@@ -1,67 +0,0 @@
-#!/usr/bin/python2
-
-from quippy import *
-import numpy as np
-
-sc_size = 25. # size of supercell
-angle = np.radians(90.)
-
-aa = AtomsList()
-
-for h in np.linspace(-1.0, 4.0, 101):
- a = Atoms()
- a.set_lattice(make_lattice(sc_size, sc_size, sc_size, angle, angle, angle))
- f = 2.2/2.0
- a.add_atoms( [ f, 0., -f/np.sqrt(2.) ] , 15)
- a.add_atoms( [-f, 0., -f/np.sqrt(2.) ] , 15)
- a.add_atoms( [ 0., f, f/np.sqrt(2.) + h] , 15)
- a.add_atoms( [ 0., -f, f/np.sqrt(2.) + h] , 15)
- a.center()
- aa.append(a)
-
-aa.write('P2_dimer_scan_C2v.xyz')
-
-aa = AtomsList()
-
-for h in np.linspace(0.0, 5.0, 101):
- a = Atoms()
- a.set_lattice(make_lattice(sc_size, sc_size, sc_size, angle, angle, angle))
- f = 2.2/np.sqrt(8./3)
- d0 = f*4./3 + 1.0
- a.add_atoms( [ f*np.sqrt(8./9), 0., -f/3 ] , 15)
- a.add_atoms( [-f*np.sqrt(2./9), f*np.sqrt(2./3), -f/3 ] , 15)
- a.add_atoms( [-f*np.sqrt(2./9), -f*np.sqrt(2./3), -f/3 ] , 15)
- a.add_atoms( [ 0., 0., f ] , 15)
-
- a.add_atoms( [ f*np.sqrt(8./9), 0., -f/3 + d0 + h ] , 15)
- a.add_atoms( [-f*np.sqrt(2./9), f*np.sqrt(2./3), -f/3 + d0 + h ] , 15)
- a.add_atoms( [-f*np.sqrt(2./9), -f*np.sqrt(2./3), -f/3 + d0 + h ] , 15)
- a.add_atoms( [ 0., 0., f + d0 + h ] , 15)
-
- a.center()
- aa.append(a)
-
-aa.write('P4_dimer_scan_C3v.xyz')
-
-aa = AtomsList()
-
-for h in np.linspace(0.0, 5.0, 101):
- a = Atoms()
- a.set_lattice(make_lattice(sc_size, sc_size, sc_size, angle, angle, angle))
- f = 2.2/np.sqrt(8./3)
- d0 = f*2./3 + 1.0
- a.add_atoms( [ f*np.sqrt(8./9), 0., f/3 ] , 15)
- a.add_atoms( [-f*np.sqrt(2./9), f*np.sqrt(2./3), f/3 ] , 15)
- a.add_atoms( [-f*np.sqrt(2./9), -f*np.sqrt(2./3), f/3 ] , 15)
- a.add_atoms( [ 0., 0., -f ] , 15)
-
- a.add_atoms( [ f*np.sqrt(8./9), 0., -f/3 + d0 + h ] , 15)
- a.add_atoms( [-f*np.sqrt(2./9), f*np.sqrt(2./3), -f/3 + d0 + h ] , 15)
- a.add_atoms( [-f*np.sqrt(2./9), -f*np.sqrt(2./3), -f/3 + d0 + h ] , 15)
- a.add_atoms( [ 0., 0., f + d0 + h ] , 15)
-
- a.center()
- aa.append(a)
-
-aa.write('P4_dimer_scan_D3h.xyz')
-
diff --git a/tests/P/P4_scans/test.py b/tests/P/P4_scans/test.py
deleted file mode 100644
index c8d3985d3..000000000
--- a/tests/P/P4_scans/test.py
+++ /dev/null
@@ -1,8 +0,0 @@
-from utilities import path_of_file, evaluate_file
-
-filenamelist = ["P2_dimer_scan_C2v_mbd.xyz","P4_dimer_scan_C3v_mbd.xyz","P4_dimer_scan_D3h_mbd.xyz"]
-
-for filename in filenamelist:
- evaluate_file(path_of_file(__file__)+"/"+filename)
-
-properties = {"files": filenamelist}
diff --git a/tests/P/black_exfoliation/test.py b/tests/P/black_exfoliation/test.py
deleted file mode 100644
index 8444700b2..000000000
--- a/tests/P/black_exfoliation/test.py
+++ /dev/null
@@ -1,8 +0,0 @@
-from utilities import path_of_file, evaluate_file
-
-filenamelist = ["exfoliation_mbd_reference.xyz"]
-
-for filename in filenamelist:
- evaluate_file(path_of_file(__file__)+"/"+filename)
-
-properties = {"files": filenamelist}
diff --git a/tests/P/bulk_Hittorf/test.py b/tests/P/bulk_Hittorf/test.py
deleted file mode 100644
index 4cec0a5c4..000000000
--- a/tests/P/bulk_Hittorf/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'orthorhombic', n_steps=(-6,6))
diff --git a/tests/P/bulk_betaP4/test.py b/tests/P/bulk_betaP4/test.py
deleted file mode 100644
index 4cec0a5c4..000000000
--- a/tests/P/bulk_betaP4/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'orthorhombic', n_steps=(-6,6))
diff --git a/tests/P/bulk_black/test.py b/tests/P/bulk_black/test.py
deleted file mode 100644
index 4cec0a5c4..000000000
--- a/tests/P/bulk_black/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'orthorhombic', n_steps=(-6,6))
diff --git a/tests/P/bulk_black_primitive/test.py b/tests/P/bulk_black_primitive/test.py
deleted file mode 100644
index 8a299f17d..000000000
--- a/tests/P/bulk_black_primitive/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'orthorhombic', n_steps=(-2,2))
diff --git a/tests/P/bulk_fibrous/test.py b/tests/P/bulk_fibrous/test.py
deleted file mode 100644
index 4cec0a5c4..000000000
--- a/tests/P/bulk_fibrous/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'orthorhombic', n_steps=(-6,6))
diff --git a/tests/P/bulk_phosphorene/test.py b/tests/P/bulk_phosphorene/test.py
deleted file mode 100644
index 4cec0a5c4..000000000
--- a/tests/P/bulk_phosphorene/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'orthorhombic', n_steps=(-6,6))
diff --git a/tests/P/dimer/test.py b/tests/P/dimer/test.py
deleted file mode 100644
index ab5c7bd56..000000000
--- a/tests/P/dimer/test.py
+++ /dev/null
@@ -1,8 +0,0 @@
-from utilities import path_of_file, evaluate_file
-
-filenamelist = ["dimer_mbd_reference.xyz"]
-
-for filename in filenamelist:
- evaluate_file(path_of_file(__file__)+"/"+filename)
-
-properties = {"files": filenamelist}
diff --git a/tests/P/phonons/test.py b/tests/P/phonons/test.py
deleted file mode 100644
index bd10fa85b..000000000
--- a/tests/P/phonons/test.py
+++ /dev/null
@@ -1,4 +0,0 @@
-from phonons import *
-
-#properties = do_phonons(['bulk_black', 'bulk_black_primitive', 'bulk_betaP4', 'bulk_Hittorf', 'bulk_fibrous'], n_supercell=[3,4,2,1,2], band_paths=['GX','GX','GX','GX','GX'])
-properties = do_phonons(['bulk_phosphorene'], n_supercell=[[6, 1, 6]], band_paths=['GX'])
diff --git a/tests/Si/RSS/test.py b/tests/Si/RSS/test.py
deleted file mode 100644
index a5de2ff31..000000000
--- a/tests/Si/RSS/test.py
+++ /dev/null
@@ -1,4 +0,0 @@
-import os.path
-from RSS import do_RSS
-
-properties = do_RSS(os.path.join(os.path.abspath(os.path.dirname(__file__)),'random_structs.extxyz'),':400:2')
diff --git a/tests/Si/bulk_Si_bc8/test.py b/tests/Si/bulk_Si_bc8/test.py
deleted file mode 100644
index 5539f31c5..000000000
--- a/tests/Si/bulk_Si_bc8/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'cubic')
diff --git a/tests/Si/bulk_Si_bcc/test.py b/tests/Si/bulk_Si_bcc/test.py
deleted file mode 100644
index 5539f31c5..000000000
--- a/tests/Si/bulk_Si_bcc/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'cubic')
diff --git a/tests/Si/bulk_Si_beta-Sn/test.py b/tests/Si/bulk_Si_beta-Sn/test.py
deleted file mode 100644
index 7069e382d..000000000
--- a/tests/Si/bulk_Si_beta-Sn/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'tetragonal')
diff --git a/tests/Si/bulk_Si_diamond/test.py b/tests/Si/bulk_Si_diamond/test.py
deleted file mode 100644
index 5539f31c5..000000000
--- a/tests/Si/bulk_Si_diamond/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'cubic')
diff --git a/tests/Si/bulk_Si_fcc/test.py b/tests/Si/bulk_Si_fcc/test.py
deleted file mode 100644
index 5539f31c5..000000000
--- a/tests/Si/bulk_Si_fcc/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'cubic')
diff --git a/tests/Si/bulk_Si_hcp/test.py b/tests/Si/bulk_Si_hcp/test.py
deleted file mode 100644
index 7069e382d..000000000
--- a/tests/Si/bulk_Si_hcp/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'tetragonal')
diff --git a/tests/Si/bulk_Si_hcp_sf/test.py b/tests/Si/bulk_Si_hcp_sf/test.py
deleted file mode 100644
index 7069e382d..000000000
--- a/tests/Si/bulk_Si_hcp_sf/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'tetragonal')
diff --git a/tests/Si/bulk_Si_hexagonal_diamond/test.py b/tests/Si/bulk_Si_hexagonal_diamond/test.py
deleted file mode 100644
index 7069e382d..000000000
--- a/tests/Si/bulk_Si_hexagonal_diamond/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'tetragonal')
diff --git a/tests/Si/bulk_Si_simple_hexagonal/test.py b/tests/Si/bulk_Si_simple_hexagonal/test.py
deleted file mode 100644
index 7069e382d..000000000
--- a/tests/Si/bulk_Si_simple_hexagonal/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'tetragonal')
diff --git a/tests/Si/bulk_Si_st12/test.py b/tests/Si/bulk_Si_st12/test.py
deleted file mode 100644
index 7069e382d..000000000
--- a/tests/Si/bulk_Si_st12/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'tetragonal')
diff --git a/tests/Si/phonon_bulks/test.py b/tests/Si/phonon_bulks/test.py
deleted file mode 100644
index fd67717f9..000000000
--- a/tests/Si/phonon_bulks/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-from phonons import *
-
-properties = do_phonons(['bulk_Si_diamond'], n_supercell=6, band_paths=['GXKGL'])
diff --git a/tests/Si/point_defect_Si_diamond_interstitial_dumb/test_old.py b/tests/Si/point_defect_Si_diamond_interstitial_dumb/test_old.py
deleted file mode 100644
index 95a5ebfb0..000000000
--- a/tests/Si/point_defect_Si_diamond_interstitial_dumb/test_old.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, vacancy
-
-properties = vacancy.do_all_vacancies(os.path.abspath(os.path.dirname(__file__)), nn_cutoff=2.7)
diff --git a/tests/Si/point_defect_Si_diamond_interstitial_hex/test.py b/tests/Si/point_defect_Si_diamond_interstitial_hex/test.py
deleted file mode 100644
index d125446ab..000000000
--- a/tests/Si/point_defect_Si_diamond_interstitial_hex/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, interstitial
-
-properties = interstitial.do_interstitial(os.path.abspath(os.path.dirname(__file__)), nn_cutoff=2.7)
diff --git a/tests/Si/point_defect_Si_diamond_interstitial_tetr/test.py b/tests/Si/point_defect_Si_diamond_interstitial_tetr/test.py
deleted file mode 100644
index d125446ab..000000000
--- a/tests/Si/point_defect_Si_diamond_interstitial_tetr/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, interstitial
-
-properties = interstitial.do_interstitial(os.path.abspath(os.path.dirname(__file__)), nn_cutoff=2.7)
diff --git a/tests/Si/point_defect_Si_diamond_vacancy/test.py b/tests/Si/point_defect_Si_diamond_vacancy/test.py
deleted file mode 100644
index 95a5ebfb0..000000000
--- a/tests/Si/point_defect_Si_diamond_vacancy/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, vacancy
-
-properties = vacancy.do_all_vacancies(os.path.abspath(os.path.dirname(__file__)), nn_cutoff=2.7)
diff --git a/tests/Si/qha_diamond/test.py b/tests/Si/qha_diamond/test.py
deleted file mode 100644
index b0549bfdf..000000000
--- a/tests/Si/qha_diamond/test.py
+++ /dev/null
@@ -1,160 +0,0 @@
-# This script defines a test case which computes one or more physical
-# properties with a given model
-#
-# INPUTS:
-# model.calculator -- an ase.calculator.Calculator instance
-# this script can assume the calculator is checkpointed.
-#
-# OUTPUTS:
-# properties -- dictionary of key/value pairs corresponding
-# to physical quantities computed by this test
-
-# standard ASE structure generation routines
-
-import model
-import json
-
-from ase.build import bulk
-from phonopy import Phonopy
-from phonopy.structure.atoms import PhonopyAtoms
-
-
-HBAR=0.6582119514
-BOLTZMANN_K=8.6173303e-05
-GPA=160.21766208
-
-import ase
-from ase import Atoms
-from utilities import relax_config, phonons
-import numpy as np
-
-supercell = [[4, 0, 0], [0, 4, 0], [0, 0, 4]]
-dx = 0.03
-mesh = [16, 16, 16]
-
-temperature_range = [1.0e-4,1500]
-
-points = np.array([
- [0,0,0],
- [0,0.5,0.5],
- [1,1,1],
- [0.5,0.5,0.5]
- ]
-)
-
-n_points = 50
-
-# set up cell and bulk modulus
-try:
- with open("../model-{}-test-bulk_diamond-properties.json".format(model.name)) as f:
- j=json.load(f)
- a0 = j["diamond_a0"]
- bulk_at = bulk("Si", "diamond", a0)
-
- bulk_modulus = j["diamond_bulk_modulus"] / GPA
-except:
- bulk_at = bulk("Si", "diamond", 5.43)
- bulk_at.set_calculator(model.calculator)
- bulk_at = relax_config(bulk_at, relax_pos=True, relax_cell=True, tol=1.0e-4, traj_file=None)
- a0 = bulk_at.get_cell_lengths_and_angles()[0]*np.sqrt(2.0)
- bulk_at = bulk("Si", "diamond", a0)
-
-
- from matscipy import elasticity
- from ase.optimize import BFGS
-
- bulk_at.set_calculator(model.calculator)
- opt = BFGS
- b=elasticity.fit_elastic_constants(bulk_at,symmetry='cubic',optimizer=opt)
- bulk_modulus = elasticity.elastic_moduli(b[0])[3]
-
-try:
- with open("../model-{}-test-phonon_diamond-properties.json".format(model.name)) as f:
- j=json.load(f)
-
- f0 = j["phonon_diamond_frequencies"]
- bf0 = j["phonon_diamond_band_frequencies"]
- band_distances = j["phonon_diamond_band_distances"]
- weights = j["phonon_diamond_weights"]
-except:
- phonon_properties = phonons(model,bulk_at,supercell=supercell,dx=dx,mesh=mesh,points=points,n_points=n_points)
- f0 = phonon_properties["frequencies"]
- bf0 = phonon_properties["band_frequencies"]
- band_distances = phonon_properties["band_distances"]
- weights = phonon_properties["weights"]
-
-n_frequencies = len(f0)
-n_band_frequencies = len(bf0)
-
-f0 = np.array(f0)*1.0e-3
-bf0 = np.array(bf0)*1.0e-3
-weights = 1.0*np.array(weights)
-
-c = 0.01
-fd = []
-band_frequencies_d = []
-a = []
-for dc in [-c,c]:
- atd = bulk_at.copy()
- atd.set_cell(bulk_at.get_cell()*(1+dc),scale_atoms=True)
- phonon_properties = phonons(model,atd,supercell=supercell,dx=dx,mesh=mesh,points=points,n_points=n_points)
- a.append(atd.get_cell_lengths_and_angles()[0]*np.sqrt(2.0))
- f = phonon_properties["frequencies"]
- if n_frequencies != len(f):
- raise ValueError
- fd.append(np.array(f)*1.0e-3)
-
- bf = phonon_properties["band_frequencies"]
- if n_band_frequencies != len(bf):
- raise ValueError
- band_frequencies_d.append(np.array(bf)*1.0e-3)
-
-mode_gruneisens = - (fd[1]-fd[0]) / (a[1]-a[0]) * a0 / f0 / 3.0
-where_Nans = np.isclose(f0,0.0,atol=1.0e-4)
-mode_gruneisens[where_Nans] = 0.0
-
-mode_band_gruneisens = - (band_frequencies_d[1]-band_frequencies_d[0]) / (a[1]-a[0]) * a0 / bf0 / 3.0
-where_Nans = np.isclose(bf0,0.0,atol=1.0e-4)
-#mode_band_gruneisens[where_Nans] = 0.0
-for i_direction,direction in enumerate(bf0):
- for i_q, q, in enumerate(direction):
- for i_band, band in enumerate(q):
- if np.isclose(band,0.0,atol=1.0e-4):
- #print band, i_band, i_q,i_direction, bf0[i_direction,i_q,i_band],mode_band_gruneisens[i_direction,i_q,i_band]
- if i_q == 0:
- mode_band_gruneisens[i_direction,i_q,i_band] = mode_band_gruneisens[i_direction,i_q+1,i_band]
- elif i_q == len(direction)-1:
- mode_band_gruneisens[i_direction,i_q,i_band] = mode_band_gruneisens[i_direction,i_q-1,i_band]
- else:
- mode_band_gruneisens[i_direction,i_q,i_band] = (mode_band_gruneisens[i_direction,i_q-1,i_band]+mode_band_gruneisens[i_direction,i_q+1,i_band]) / 2
- #print mode_band_gruneisens[i_direction,i_q,i_band]
-
-temperature = np.logspace(np.log10(temperature_range[0]),np.log10(temperature_range[1]),200)
-heat_capacity = []
-thermal_expansion = []
-gruneisen = []
-
-for t in temperature:
- c = 2*np.pi*HBAR*f0/(2*BOLTZMANN_K*t)
- c = BOLTZMANN_K*c**2 / np.sinh(c)**2
-
- c = c * weights[:,np.newaxis]/np.sum(weights)
-
- heat_capacity.append(np.sum(c))
- thermal_expansion.append(np.sum(c*mode_gruneisens)/(3.0*bulk_at.get_volume()*bulk_modulus))
- gruneisen.append(np.sum(c*mode_gruneisens)/np.sum(c))
-
-temperature = [_f for _f in temperature]
-heat_capacity = [_f for _f in heat_capacity]
-thermal_expansion = [_f for _f in thermal_expansion]
-gruneisen = [_f for _f in gruneisen]
-mode_band_gruneisens = [_f.tolist() for _f in mode_band_gruneisens]
-
-properties = {
- "a0":a0,
- "qha_temperature":temperature,
- "qha_heat_capacity":heat_capacity,
- "qha_thermal_expansion":thermal_expansion,
- "qha_gruneisen":gruneisen,
- "qha_band_distances":band_distances,
- "qha_mode_band_gruneisens":mode_band_gruneisens}
diff --git a/tests/Si/surface-energy-110-relaxed/test.py b/tests/Si/surface-energy-110-relaxed/test.py
deleted file mode 100644
index 3e34ba7bf..000000000
--- a/tests/Si/surface-energy-110-relaxed/test.py
+++ /dev/null
@@ -1,91 +0,0 @@
-# This script defines a test case which computes one or more physical
-# properties with a given model
-#
-# INPUTS:
-# model.calculator -- an ase.calculator.Calculator instance
-# this script can assume the calculator is checkpointed.
-#
-# OUTPUTS:
-# properties -- dictionary of key/value pairs corresponding
-# to physical quantities computed by this test
-
-# standard ASE structure generation routines
-from ase.lattice.cubic import Diamond
-import numpy as np
-
-import ase.io, sys
-
-# set of utility routines specific this this model/testing framework
-#from utilities import relax_atoms, relax_atoms_cell
-from utilities import relax_config
-
-# the current model
-import model
-
-a0 = 5.44 # initial guess at lattice constant, cell will be relaxed below
-fmax = 0.01 # maximum force following relaxtion [eV/A]
-
-if not hasattr(model, 'bulk_reference'):
- # set up the a
- bulk = Diamond(symbol='Si', latticeconstant=a0)
-
- # specify that we will use model.calculator to compute forces, energies and stresses
- bulk.set_calculator(model.calculator)
-
- # use one of the routines from utilities module to relax the initial
- # unit cell and atomic positions
- #bulk = relax_atoms_cell(bulk, tol=fmax, traj_file=None)
- bulk = relax_config(bulk, relax_pos=True, relax_cell=True, tol=1.0e-4, traj_file=None)
-else:
- bulk = model.bulk_reference.copy()
- bulk.set_calculator(model.calculator)
-
-a0 = bulk.cell[0,0] # get lattice constant from relaxed bulk
-bulk = Diamond(symbol="Si", latticeconstant=a0, directions=[[1,-1,0],[0,0,1],[1,1,0]])
-bulk.set_calculator(model.calculator)
-
-# set up supercell
-bulk *= (1, 1, 10)
-# flip coord system for ASE (precon minim?)
-c = bulk.get_cell()
-t_v = c[0,:].copy()
-c[0,:] = c[1,:]
-c[1,:] = t_v
-bulk.set_cell(c)
-
-ase.io.write(sys.stdout, bulk, format='extxyz')
-
-def surface_energy(bulk, z_offset):
- Nat = bulk.get_number_of_atoms()
-
- # shift so cut is through shuffle plane
- bulk.positions[:,2] += z_offset
- bulk.wrap()
-
- # relax atom positions, holding cell fixed
- # vac = relax_atoms(vac, fmax=fmax)
-
- # compute surface formation energy as difference of bulk and expanded cell
- ebulk = bulk.get_potential_energy()
- print('bulk cell energy', ebulk)
-
- bulk.cell[2,2] *= (np.abs(bulk.cell[2,2])+10.0)/np.abs(bulk.cell[2,2])
-
- np.random.seed(75)
-
- bulk.positions += (np.random.rand((Nat*3))*0.1).reshape([Nat,3])
- bulk = relax_config(bulk, relax_pos=True, relax_cell=True, tol=fmax, traj_file="model-"+model.name+"-surface-energy-110-relaxed.opt.xyz")
-
- eexp = bulk.get_potential_energy()
-
- ase.io.write(sys.stdout, bulk, format='extxyz')
-
- print('expanded cell energy', eexp)
- e_form = 0.5*(eexp - ebulk) / np.linalg.norm(np.cross(bulk.cell[0,:],bulk.cell[1,:]))
- print('relaxed 110 surface formation energy', e_form)
- return e_form
-
-# dictionary of computed properties - this is output of this test, to
-# be compared with other models
-properties = {'surface_energy_110_relaxed':
- surface_energy(bulk, 1.0) }
diff --git a/tests/Si/surface_Si_diamond_110/test.py b/tests/Si/surface_Si_diamond_110/test.py
deleted file mode 100644
index 3dbcaac9f..000000000
--- a/tests/Si/surface_Si_diamond_110/test.py
+++ /dev/null
@@ -1,94 +0,0 @@
-# This script defines a test case which computes one or more physical
-# properties with a given model
-#
-# INPUTS:
-# model.calculator -- an ase.calculator.Calculator instance
-# this script can assume the calculator is checkpointed.
-#
-# OUTPUTS:
-# properties -- dictionary of key/value pairs corresponding
-# to physical quantities computed by this test
-
-# standard ASE structure generation routines
-from ase.lattice.cubic import Diamond
-import numpy as np
-
-import ase.io, sys
-
-# set of utility routines specific this this model/testing framework
-#from utilities import relax_atoms, relax_atoms_cell
-from utilities import relax_config, run_root
-
-# the current model
-import model
-
-a0 = 5.44 # initial guess at lattice constant, cell will be relaxed below
-fmax = 0.01 # maximum force following relaxtion [eV/A]
-
-if not hasattr(model, 'bulk_reference'):
- # set up the a
- bulk = Diamond(symbol='Si', latticeconstant=a0)
-
- # specify that we will use model.calculator to compute forces, energies and stresses
- bulk.set_calculator(model.calculator)
-
- # use one of the routines from utilities module to relax the initial
- # unit cell and atomic positions
- #bulk = relax_atoms_cell(bulk, tol=fmax, traj_file=None)
- bulk = relax_config(bulk, relax_pos=True, relax_cell=True, tol=1.0e-4, traj_file=None)
-else:
- bulk = model.bulk_reference.copy()
- bulk.set_calculator(model.calculator)
-
-a0 = bulk.cell[0,0] # get lattice constant from relaxed bulk
-bulk = Diamond(symbol="Si", latticeconstant=a0, directions=[[1,-1,0],[0,0,1],[1,1,0]])
-bulk.set_calculator(model.calculator)
-
-# set up supercell
-bulk *= (1, 1, 10)
-# flip coord system for ASE (precon minim?)
-c = bulk.get_cell()
-t_v = c[0,:].copy()
-c[0,:] = c[1,:]
-c[1,:] = t_v
-bulk.set_cell(c)
-
-ase.io.write(sys.stdout, bulk, format='extxyz')
-
-def surface_energy(bulk, z_offset):
- Nat = bulk.get_number_of_atoms()
-
- # shift so cut is through shuffle plane
- bulk.positions[:,2] += z_offset
- bulk.wrap()
-
- # relax atom positions, holding cell fixed
- # vac = relax_atoms(vac, fmax=fmax)
-
- # compute surface formation energy as difference of bulk and expanded cell
- ebulk = bulk.get_potential_energy()
- print('bulk cell energy', ebulk)
-
- bulk.cell[2,2] *= (np.abs(bulk.cell[2,2])+10.0)/np.abs(bulk.cell[2,2])
-
- np.random.seed(75)
-
- bulk.positions += (np.random.rand((Nat*3))*0.1).reshape([Nat,3])
- bulk = relax_config(bulk, relax_pos=True, relax_cell=True, tol=fmax, traj_file=run_root+"-surface-energy-110-relaxed.opt.xyz")
-
- eexp = bulk.get_potential_energy()
-
- ase.io.write(sys.stdout, bulk, format='extxyz')
-
- print('expanded cell energy', eexp)
- e_form = 0.5*(eexp - ebulk) / np.linalg.norm(np.cross(bulk.cell[0,:],bulk.cell[1,:]))
- print('relaxed 110 surface formation energy', e_form)
- return e_form
-
-# dictionary of computed properties - this is output of this test, to
-# be compared with other models
-
-properties = { "bulk_struct_test" : "bulk_Si_diamond", "Ef" : surface_energy(bulk, 1.0), "dmu" : 0.0, 'filename' : run_root+"-surface-energy-110-relaxed.opt.xyz" }
-
-# properties = {'surface_energy_110_relaxed':
-# surface_energy(bulk, 1.0) }
diff --git a/tests/SiC/bulk_15R/test.py b/tests/SiC/bulk_15R/test.py
deleted file mode 100644
index 434cc32c9..000000000
--- a/tests/SiC/bulk_15R/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'trigonal')
diff --git a/tests/SiC/bulk_19H/test.py b/tests/SiC/bulk_19H/test.py
deleted file mode 100644
index 804856747..000000000
--- a/tests/SiC/bulk_19H/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'hexagonal')
diff --git a/tests/SiC/bulk_2H/test.py b/tests/SiC/bulk_2H/test.py
deleted file mode 100644
index 804856747..000000000
--- a/tests/SiC/bulk_2H/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'hexagonal')
diff --git a/tests/SiC/bulk_3C/test.py b/tests/SiC/bulk_3C/test.py
deleted file mode 100644
index 5539f31c5..000000000
--- a/tests/SiC/bulk_3C/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'cubic')
diff --git a/tests/SiC/bulk_4H/test.py b/tests/SiC/bulk_4H/test.py
deleted file mode 100644
index 804856747..000000000
--- a/tests/SiC/bulk_4H/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'hexagonal')
diff --git a/tests/SiC/bulk_6H/test.py b/tests/SiC/bulk_6H/test.py
deleted file mode 100644
index 1c373781b..000000000
--- a/tests/SiC/bulk_6H/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'hexagonal')#, method='sd2') - for Brenner # To be fixed soon
diff --git a/tests/SiC/bulk_cesiumchloride/test.py b/tests/SiC/bulk_cesiumchloride/test.py
deleted file mode 100644
index 5539f31c5..000000000
--- a/tests/SiC/bulk_cesiumchloride/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'cubic')
diff --git a/tests/SiC/bulk_rocksalt/test.py b/tests/SiC/bulk_rocksalt/test.py
deleted file mode 100644
index 5539f31c5..000000000
--- a/tests/SiC/bulk_rocksalt/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'cubic')
diff --git a/tests/Ti/bulk_Ti_bcc/test.py b/tests/Ti/bulk_Ti_bcc/test.py
deleted file mode 100644
index 5539f31c5..000000000
--- a/tests/Ti/bulk_Ti_bcc/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'cubic')
diff --git a/tests/Ti/bulk_Ti_hcp/test.py b/tests/Ti/bulk_Ti_hcp/test.py
deleted file mode 100644
index 7069e382d..000000000
--- a/tests/Ti/bulk_Ti_hcp/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'tetragonal')
diff --git a/tests/Ti/bulk_Ti_omega/test.py b/tests/Ti/bulk_Ti_omega/test.py
deleted file mode 100644
index 7069e382d..000000000
--- a/tests/Ti/bulk_Ti_omega/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'tetragonal')
diff --git a/tests/Ti/point_defect_Ti_hcp_vacancy/test.py b/tests/Ti/point_defect_Ti_hcp_vacancy/test.py
deleted file mode 100644
index 6b6ccb3d6..000000000
--- a/tests/Ti/point_defect_Ti_hcp_vacancy/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, vacancy
-
-properties = vacancy.do_all_vacancies(os.path.abspath(os.path.dirname(__file__)), nn_cutoff=3.5)
diff --git a/tests/TiAl/bulk_Al_fcc/test.py b/tests/TiAl/bulk_Al_fcc/test.py
deleted file mode 100644
index 5539f31c5..000000000
--- a/tests/TiAl/bulk_Al_fcc/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'cubic')
diff --git a/tests/TiAl/bulk_Ti3Al/test.py b/tests/TiAl/bulk_Ti3Al/test.py
deleted file mode 100644
index 7069e382d..000000000
--- a/tests/TiAl/bulk_Ti3Al/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'tetragonal')
diff --git a/tests/TiAl/bulk_TiAl/test.py b/tests/TiAl/bulk_TiAl/test.py
deleted file mode 100644
index 5539f31c5..000000000
--- a/tests/TiAl/bulk_TiAl/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'cubic')
diff --git a/tests/TiAl/bulk_TiAl3/test.py b/tests/TiAl/bulk_TiAl3/test.py
deleted file mode 100644
index 7069e382d..000000000
--- a/tests/TiAl/bulk_TiAl3/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'tetragonal')
diff --git a/tests/TiAl/bulk_Ti_bcc/test.py b/tests/TiAl/bulk_Ti_bcc/test.py
deleted file mode 100644
index 5539f31c5..000000000
--- a/tests/TiAl/bulk_Ti_bcc/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'cubic')
diff --git a/tests/TiAl/bulk_Ti_hcp/test.py b/tests/TiAl/bulk_Ti_hcp/test.py
deleted file mode 100644
index 7069e382d..000000000
--- a/tests/TiAl/bulk_Ti_hcp/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'tetragonal')
diff --git a/tests/TiAlV/bulk_TiAlV_bcc/test.py b/tests/TiAlV/bulk_TiAlV_bcc/test.py
deleted file mode 100644
index 5539f31c5..000000000
--- a/tests/TiAlV/bulk_TiAlV_bcc/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'cubic')
diff --git a/tests/TiAlV/bulk_TiAlV_hcp/test.py b/tests/TiAlV/bulk_TiAlV_hcp/test.py
deleted file mode 100644
index 5539f31c5..000000000
--- a/tests/TiAlV/bulk_TiAlV_hcp/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'cubic')
diff --git a/tests/V/bulk_V_bcc/test.py b/tests/V/bulk_V_bcc/test.py
deleted file mode 100644
index 5539f31c5..000000000
--- a/tests/V/bulk_V_bcc/test.py
+++ /dev/null
@@ -1,3 +0,0 @@
-import os.path, lattice
-
-properties = lattice.do_lattice(os.path.abspath(os.path.dirname(__file__)), 'cubic')
diff --git a/version.py b/version.py
new file mode 100644
index 000000000..4b0d124d5
--- /dev/null
+++ b/version.py
@@ -0,0 +1 @@
+__version__ = "0.1dev"