element:
Ti
lattice type:
bcc
modelname:
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: 5.321130
         Iterations: 25
         Function evaluations: 50
{'lattice_constant': 2.6125082448124886, 'cohesive_energy': -2.660564782471669, 'element': 'Ti', 'species': 'Ti" "Ti', 'crystal_structure': 'bcc', 'space_group': 'Im-3m', 'wyckoff_code': '2a', 'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'iterations': 25, 'func_calls': 50, 'warnflag': 0, 'repeat': 0}