element=lattice type=modelname=Xe 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: -0.198865 Iterations: 30 Function evaluations: 62 {'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': 0.19886538334194348, 'space_group': 'Fm-3m', 'element': 'Xe', 'lattice_constant': 3.8507384955883026, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 30, 'warnflag': 0, 'species': 'Xe" "Xe" "Xe" "Xe', 'func_calls': 62}