element=lattice type=modelname=Xe bcc LJ_Shifted_Bernardes_1958HighCutoff_Xe__MO_796748253903_003

Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms

Optimization terminated successfully.
         Current function value: -0.162972
         Iterations: 33
         Function evaluations: 67
{'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 0.162971779017329, 'space_group': 'Im-3m', 'element': 'Xe', 'lattice_constant': 4.91241367161274, 'wyckoff_code': '2a', 'crystal_structure': 'bcc', 'iterations': 33, 'warnflag': 0, 'species': 'Xe" "Xe', 'func_calls': 67}