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



[{'prototype-label': {'source-value': 'A3B4_hP28_159_2c_ab2c'}, 'stoichiometric-species': {'source-value': ['C', 'N']}, 'a': {'source-value': 6.5108, 'source-unit': 'angstrom'}, 'parameter-values': {'source-value': [0.72852798, 0.9933131, 0.12877653, 0.08114101, 0.56397297, 0.2041949, 0.25486349, 0.089090371, 0.99287853, 0.95023163, 0.60346895, 0.97317864, 0.31961226, 0.0048696598, 0.24525051]}, 'library-prototype-label': {'source-value': 'A4B3_hP28_159_ab2c_2c-001'}, 'short-name': {'source-value': 'Nierite'}, 'crystal-genome-source-structure-id': {'source-value': [['RD_628422550982_000']]}, 'duplicate_reference_data': []}]