element:
Ti
lattice type:
bcc
modelname:
Sim_LAMMPS_MEAM_KoGrabowskiNeugebauer_2015_NiTi__SM_770142935022_000

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

Optimization terminated successfully.
         Current function value: -9.578344
         Iterations: 29
         Function evaluations: 58
{'lattice_constant': 3.2801352739334106, 'cohesive_energy': 4.789171838769046, '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': 29, 'func_calls': 58, 'warnflag': 0, 'repeat': 0}