element:
Ti
lattice type:
fcc
modelname:
MEAM_LAMMPS_KoGrabowskiNeugebauer_2015_NiTi__MO_663355627503_001

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

Optimization terminated successfully.
         Current function value: -19.423925
         Iterations: 32
         Function evaluations: 66
{'lattice_constant': 4.111299745738506, 'cohesive_energy': 4.855981203367154, 'element': 'Ti', 'species': 'Ti" "Ti" "Ti" "Ti', 'crystal_structure': 'fcc', 'space_group': 'Fm-3m', 'wyckoff_code': '4a', 'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.0] [0.5 0.0 0.5] [0.0 0.5 0.5]]', 'iterations': 32, 'func_calls': 66, 'warnflag': 0, 'repeat': 0}