... | ... | @@ -49,7 +49,6 @@ INPUT: |
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"atom_species": [17,17],
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"configuration_periodic_dimensions": [{"flatData":[true,true,true],"shape":[3]}],
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"configuration_raw_gid": "szLBA5_1qtdZt3a2l9FmX22hj1sAI",
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"lattice_vectors": {"flatData":[1.82678709E-10,-3.1640880600000004E-10,0.0,1.82678709E-10,3.1640880600000004E-10,-0.0,0.0,0.0,3.9222855E-10],"shape":[3,3]},
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"simulation_cell": {"flatData":[1.82678709E-10,-3.1640880600000004E-10,0.0,1.82678709E-10,3.1640880600000004E-10,-0.0,0.0,0.0,3.9222855E-10],"shape":[3,3]},
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"system_composition": "Cl2",
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"system_configuration_consistent": true,
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... | ... | |