element=lattice type=modelname=O fcc Sim_LAMMPS_MEAM_ZhangTrinkle_2016_TiO__SM_513612626462_000 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -7.890888 Iterations: 27 Function evaluations: 54 {'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.0] [0.5 0.0 0.5] [0.0 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 1.972722008558016, 'space_group': 'Fm-3m', 'element': 'O', 'lattice_constant': 2.9145586490631104, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 27, 'warnflag': 0, 'species': 'O" "O" "O" "O', 'func_calls': 54}