element:
Xe
lattice type:
sc
modelname:
LJ_Shifted_Bernardes_1958LowCutoff_Xe__MO_648694198005_003

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
{'lattice_constant': 4.264826379716396, 'cohesive_energy': 0.10024099670018, 'element': 'Xe', 'species': 'Xe', 'crystal_structure': 'sc', 'space_group': 'Pm-3m', 'wyckoff_code': '1a', 'basis_atoms': '[[0.0 0.0 0.0]]', 'iterations': 31, 'func_calls': 62, 'warnflag': 0, 'repeat': 0}