element:
Fe
lattice type:
fcc
modelname:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003

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

Optimization terminated successfully.
         Current function value: -39.440756
         Iterations: 31
         Function evaluations: 63
{'lattice_constant': 3.6306870356202126, 'cohesive_energy': 9.860188885172697, 'element': 'Fe', 'species': 'Fe" "Fe" "Fe" "Fe', '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}