element=lattice type=modelname=Au 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: -19.195578 Iterations: 31 Function evaluations: 64 {'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': 19.195577659579794, 'space_group': 'Fm-3m', 'element': 'Au', 'lattice_constant': 3.74070505797863, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 31, 'warnflag': 0, 'species': 'Au" "Au" "Au" "Au', 'func_calls': 64}