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



[{'prototype-label': {'source-value': 'A11B4_tP15_111_abcmn_n'}, 'stoichiometric-species': {'source-value': ['C', 'N']}, 'a': {'source-value': 3.5402, 'source-unit': 'angstrom'}, 'parameter-values': {'source-value': [1.9769787, 0.75672018, 0.25529038, 0.62795568, 0.23666293, 0.12490625]}, 'library-prototype-label': {'source-value': 'A11B4_tP15_111_abcmn_n-001'}, 'short-name': {'source-value': 'carbo-nitride; C11N4, ICSD #184896'}, 'crystal-genome-source-structure-id': {'source-value': [['RD_235830653357_000']]}, 'duplicate_reference_data': []}]