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



[{'prototype-label': {'source-value': 'AB2_oC12_36_a_2a'}, 'stoichiometric-species': {'source-value': ['C', 'N']}, 'a': {'source-value': 2.481, 'source-unit': 'angstrom'}, 'parameter-values': {'source-value': [2.5961306, 1.8476421, 0.88747, 0.22046, 0.92442, 0.5479, 0.73734, 0.67879]}, 'library-prototype-label': {'source-value': 'AB2_oC12_36_a_2a-001'}, 'short-name': {'source-value': 'carbo-nitride; C1N2, ICSD #247680'}, 'crystal-genome-source-structure-id': {'source-value': [['RD_610430222132_000']]}, 'duplicate_reference_data': []}]