element=lattice type=modelname=Xe bcc Pair_Lennard_Jones_Shifted_Bernardes_MedCutoff_Xe__MO_849320763277_002 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -0.159178 Iterations: 33 Function evaluations: 67 {'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 0.15917788255414456, 'space_group': 'Im-3m', 'element': 'Xe', 'lattice_constant': 4.917205452919006, 'wyckoff_code': '2a', 'crystal_structure': 'bcc', 'iterations': 33, 'warnflag': 0, 'species': 'Xe" "Xe', 'func_calls': 67}