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



[{'prototype-label': {'source-value': 'A3B2_cP20_215_i_2e'}, 'stoichiometric-species': {'source-value': ['C', 'N']}, 'a': {'source-value': 5.0868, 'source-unit': 'angstrom'}, 'parameter-values': {'source-value': [0.24728374, 0.73225255, 0.15596662, 0.49723786]}, 'crystal-genome-source-structure-id': {'source-value': [['RD_503852891214_000']]}, 'duplicate_reference_data': []}]