element=lattice type=modelname=Ba fcc LennardJones612_UniversalShifted__MO_959249795837_002 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -15.817332 Iterations: 35 Function evaluations: 72 {'basis_atoms': '[[0.0 0.0 0.0] [0.0 0.5 0.5] [0.5 0.0 0.5] [0.5 0.5 0.0]]', 'repeat': 0, 'cohesive_energy': 15.817332447204349, 'space_group': 'Fm-3m', 'element': 'Ba', 'lattice_constant': 5.913618698716164, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 35, 'warnflag': 0, 'species': 'Ba" "Ba" "Ba" "Ba', 'func_calls': 72}