element=lattice type=modelname=Xe sc Pair_Lennard_Jones_Shifted_Bernardes_LowCutoff_Xe__MO_648694198005_002 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -0.100241 Iterations: 31 Function evaluations: 62 {'basis_atoms': '[[0.0 0.0 0.0]]', 'repeat': 0, 'cohesive_energy': 0.10024099670018, 'space_group': 'Pm-3m', 'element': 'Xe', 'lattice_constant': 4.264826379716396, 'wyckoff_code': '1a', 'crystal_structure': 'sc', 'iterations': 31, 'warnflag': 0, 'species': 'Xe', 'func_calls': 62}