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: -0.325944
         Iterations: 34
         Function evaluations: 69
{'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 0.16297177901732948, 'space_group': 'Im-3m', 'element': 'Xe', 'lattice_constant': 4.912413634359837, 'wyckoff_code': '2a', 'crystal_structure': 'bcc', 'iterations': 34, 'warnflag': 0, 'species': 'Xe" "Xe', 'func_calls': 69}