../../td/EquilibriumCrystalStructure__TD_457028483760_003/runner 
Sim_LAMMPS_ReaxFF_BroqvistKullgrenWolf_2015_CeO__SM_063950220736_000



[{'prototype-label': {'source-value': 'A2B3_mC30_12_3i_a4i'}, 'stoichiometric-species': {'source-value': ['Ce', 'O']}, 'a': {'source-value': 14.8663, 'source-unit': 'angstrom'}, 'parameter-values': {'source-value': [0.2530892, 0.61954891, 79.6053, 0.1339962, 0.50996273, 0.19205245, 0.85991742, 0.46794939, 0.81356798, 0.62861952, 0.71302964, 0.32443282, 0.97119648, 0.29801406, 0.6255212, 0.97457697, 0.65613994]}, 'library-prototype-label': {'source-value': 'A3B2_mC30_12_a4i_3i-001'}, 'short-name': {'source-value': 'metal-nitride; Ca3N2, ICSD #162794'}, 'crystal-genome-source-structure-id': {'source-value': [['RD_590484525159_000']]}, 'duplicate_reference_data': []}]