element=lattice type=modelname=Ti fcc Sim_LAMMPS_SMTBQ_SallesPolitanoAmzallag_2016_TiO__SM_349577644423_000 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: 0.000000 Iterations: 25 Function evaluations: 74 {'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': -0.0, 'space_group': 'Fm-3m', 'element': 'Ti', 'lattice_constant': 2.5, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 25, 'warnflag': 0, 'species': 'Ti" "Ti" "Ti" "Ti', 'func_calls': 74}