element=lattice type=modelname=Xe fcc 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: -0.154253 Iterations: 33 Function evaluations: 66 {'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': 0.15425263254679542, 'space_group': 'Fm-3m', 'element': 'Xe', 'lattice_constant': 6.164724573493004, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 33, 'warnflag': 0, 'species': 'Xe" "Xe" "Xe" "Xe', 'func_calls': 66}