../../td/EquilibriumCrystalStructure__TD_457028483760_003/runner 
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000



[{'prototype-label': {'source-value': 'A3B4_cP7_215_c_e'}, 'stoichiometric-species': {'source-value': ['C', 'N']}, 'a': {'source-value': 3.4558, 'source-unit': 'angstrom'}, 'parameter-values': {'source-value': [0.25428553]}, 'library-prototype-label': {'source-value': 'A3B4_cP7_215_c_e-001'}, 'short-name': {'source-value': 'carbo-nitride; C3N4, ICSD #41951'}, 'crystal-genome-source-structure-id': {'source-value': [['RD_347448925787_000']]}, 'duplicate_reference_data': ['RD_094647504603_000', 'RD_295233525245_000']}]