element:
Ar
lattice type:
sc
modelname:
Morse_Shifted_Jelinek_1972_Ar__MO_831902330215_004

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

Optimization terminated successfully.
         Current function value: -0.058489
         Iterations: 30
         Function evaluations: 61
{'lattice_constant': 3.617329463362694, 'cohesive_energy': 0.05848889512531878, 'element': 'Ar', 'species': 'Ar', 'crystal_structure': 'sc', 'space_group': 'Pm-3m', 'wyckoff_code': '1a', 'basis_atoms': '[[0.0 0.0 0.0]]', 'iterations': 30, 'func_calls': 61, 'warnflag': 0, 'repeat': 0}