element:
Ti
lattice type:
fcc
modelname:
Sim_LAMMPS_MEAM_AlmyrasSangiovanniSarakinos_2019_NAlTi__SM_871795249052_000

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

Optimization terminated successfully.
         Current function value: -19.047734
         Iterations: 31
         Function evaluations: 63
{'lattice_constant': 4.12269589304924, 'cohesive_energy': 4.761933451265042, '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': 31, 'func_calls': 63, 'warnflag': 0, 'repeat': 0}