element:
Xe
lattice type:
sc
modelname:
LJ_Shifted_Bernardes_1958MedCutoff_Xe__MO_849320763277_004

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

Optimization terminated successfully.
         Current function value: -0.109498
         Iterations: 31
         Function evaluations: 63
{'lattice_constant': 4.254335060715675, 'cohesive_energy': 0.109498271844828, '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': 63, 'warnflag': 0, 'repeat': 0}