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..
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chemenv
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defects
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diffraction
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elasticity
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ferroelectricity
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gb
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magnetism
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solar
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structure_prediction
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tests
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topological
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xas
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__init__.py
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adsorption.py
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aflow_prototypes.json
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bond_dissociation.py
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bond_valence.py
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bonds_jmol_ob.yaml
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bvparam_1991.yaml
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cn_opt_params.yaml
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cost.py
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costdb_elements.csv
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diffusion_analyzer.py
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dimensionality.py
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energy_models.py
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eos.py
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ewald.py
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excitation.py
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find_dimension.py
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fragmenter.py
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functional_groups.py
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graphs.py
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hhi.py
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hhi_data.csv
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icsd_bv.yaml
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interface.py
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interface_reactions.py
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ionic_radii.json
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local_env.py
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molecule_matcher.py
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molecule_structure_comparator.py
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nmr.py
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op_params.yaml
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path_finder.py
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phase_diagram.py
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piezo.py
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piezo_sensitivity.py
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pourbaix_diagram.py
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prototypes.py
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quasiharmonic.py
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reaction_calculator.py
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structure_analyzer.py
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structure_matcher.py
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substrate_analyzer.py
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surface_analysis.py
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thermochemistry.py
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transition_state.py
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vesta_cutoffs.yaml
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wulff.py
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