element=lattice type=modelname=O bcc 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: 36 Function evaluations: 100 {'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': -0.0, 'space_group': 'Im-3m', 'element': 'O', 'lattice_constant': 14.375, 'wyckoff_code': '2a', 'crystal_structure': 'bcc', 'iterations': 36, 'warnflag': 0, 'species': 'O" "O', 'func_calls': 100}