element:
Se
lattice type:
fcc
modelname:
SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_003

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

Optimization terminated successfully.
         Current function value: -9.655989
         Iterations: 33
         Function evaluations: 67
{'lattice_constant': 4.783998712897301, 'cohesive_energy': 2.4139973338743874, 'element': 'Se', 'species': 'Se" "Se" "Se" "Se', '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': 33, 'func_calls': 67, 'warnflag': 0, 'repeat': 0}