element:
Ar
lattice type:
sc
modelname:
LJ_Smoothed_Bernardes_1958_Ar__MO_764178710049_001

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

Optimization terminated successfully.
         Current function value: -0.045132
         Iterations: 31
         Function evaluations: 62
{'lattice_constant': 3.6697304248809814, 'cohesive_energy': 0.04513216147507503, 'element': 'Ar', 'species': 'Ar', '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}