element=lattice type=modelname=Bk 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: -41.957245 Iterations: 31 Function evaluations: 63 {'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': 10.489311311010933, 'space_group': 'Fm-3m', 'element': 'Bk', 'lattice_constant': 4.6208800077438354, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 31, 'warnflag': 0, 'species': 'Bk" "Bk" "Bk" "Bk', 'func_calls': 63}