element=lattice type=modelname=Ba fcc 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: -63.269330
         Iterations: 34
         Function evaluations: 70
{'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]]', 'repeat': 0, 'cohesive_energy': 15.817332447204278, 'space_group': 'Fm-3m', 'element': 'Ba', 'lattice_constant': 5.913618564605713, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 34, 'warnflag': 0, 'species': 'Ba" "Ba" "Ba" "Ba', 'func_calls': 70}