element:
Mg
lattice type:
fcc
modelname:
MEAM_LAMMPS_DickelBaskesAslam_2018_MgAlZn__MO_093637366498_000

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

Optimization terminated successfully.
         Current function value: -6.013222
         Iterations: 31
         Function evaluations: 63
{'lattice_constant': 4.5126209408044815, 'cohesive_energy': 1.503305542827824, 'element': 'Mg', 'species': 'Mg" "Mg" "Mg" "Mg', '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}