element:
Mo
lattice type:
bcc
modelname:
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Mo__MO_228581001644_002

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

Optimization terminated successfully.
         Current function value: -12.760163
         Iterations: 28
         Function evaluations: 57
{'lattice_constant': 3.158251941204071, 'cohesive_energy': 6.380081571728697, 'element': 'Mo', 'species': 'Mo" "Mo', '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': 28, 'func_calls': 57, 'warnflag': 0, 'repeat': 0}