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



[{'prototype-label': {'source-value': 'A11B4_oP15_16_abcjku_u'}, 'stoichiometric-species': {'source-value': ['C', 'N']}, 'a': {'source-value': 7.3438, 'source-unit': 'angstrom'}, 'parameter-values': {'source-value': [0.49068602, 0.47649718, 0.74455046, 0.72128276, 0.86039158, 0.73562218, 0.23054404, 0.61901614, 0.76716911, 0.75559437]}, 'library-prototype-label': {'source-value': 'A11B4_oP15_16_acgqtu_u-001'}, 'short-name': {'source-value': 'carbo-nitride; C11N4, ICSD #184897'}, 'crystal-genome-source-structure-id': {'source-value': [['RD_988750753690_000']]}, 'duplicate_reference_data': []}]