element:
Ar
lattice type:
bcc
modelname:
LJ_Shifted_Bernardes_1958MedCutoff_Ar__MO_126566794224_004

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

Optimization terminated successfully.
         Current function value: -0.165437
         Iterations: 32
         Function evaluations: 66
{'lattice_constant': 4.200627766549587, 'cohesive_energy': 0.08271853165053067, 'element': 'Ar', 'species': 'Ar" "Ar', 'crystal_structure': 'bcc', 'space_group': 'Im-3m', 'wyckoff_code': '2a', 'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'iterations': 32, 'func_calls': 66, 'warnflag': 0, 'repeat': 0}