../../td/EquilibriumCrystalStructure__TD_457028483760_003/runner Tersoff_LAMMPS_PlummerRathodSrivastava_2021_TiAlC__MO_992900971352_000 [{'prototype-label': {'source-value': 'A_cF16_227_c'}, 'stoichiometric-species': {'source-value': ['C']}, 'a': {'source-value': 4.8232, 'source-unit': 'angstrom'}, 'crystal-genome-source-structure-id': {'source-value': [['RD_873500647781_000']]}, 'duplicate_reference_data': []}]