element: O lattice type: fcc modelname: MEAM_LAMMPS_ZhangTrinkle_2016_TiO__MO_612732924171_000 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: 10.432074 Iterations: 29 Function evaluations: 60 {'lattice_constant': 3.4325173795223236, 'cohesive_energy': -2.6080185599473515, 'element': 'O', 'species': 'O" "O" "O" "O', 'crystal_structure': 'fcc', 'space_group': 'Fm-3m', 'wyckoff_code': '4a', '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]]', 'iterations': 29, 'func_calls': 60, 'warnflag': 0, 'repeat': 0}