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



[{'prototype-label': {'source-value': 'A3B4_hP14_187_jk_adjk'}, 'stoichiometric-species': {'source-value': ['C', 'N']}, 'a': {'source-value': 4.7841, 'source-unit': 'angstrom'}, 'parameter-values': {'source-value': [1.5753642, 0.17633586, 0.49655183, 0.50994763, 0.82982853]}, 'crystal-genome-source-structure-id': {'source-value': [['RD_871605305219_000']]}, 'duplicate_reference_data': []}]