element=lattice type=modelname=C fcc Sim_LAMMPS_BOP_ZhouWardFoster_2015_CCu__SM_784926969362_000 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -2.811062 Iterations: 26 Function evaluations: 52 {'basis_atoms': '[[0.0 0.0 0.0] [0.0 0.5 0.5] [0.5 0.0 0.5] [0.5 0.5 0.0]]', 'repeat': 0, 'cohesive_energy': 2.8110623554517797, 'space_group': 'Fm-3m', 'element': 'C', 'lattice_constant': 2.7965471893548965, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 26, 'warnflag': 0, 'species': 'C" "C" "C" "C', 'func_calls': 52}