element:
Ti
lattice type:
sc
modelname:
MEAM_LAMMPS_SunRamachandranWick_2018_TiAl__MO_022920256108_002

Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms

Optimization terminated successfully.
         Current function value: -3.676794
         Iterations: 28
         Function evaluations: 56
{'lattice_constant': 2.8039809837937355, 'cohesive_energy': 3.6767942197549233, 'element': 'Ti', 'species': 'Ti', 'crystal_structure': 'sc', 'space_group': 'Pm-3m', 'wyckoff_code': '1a', 'basis_atoms': '[[0.0 0.0 0.0]]', 'iterations': 28, 'func_calls': 56, 'warnflag': 0, 'repeat': 0}