element:
W
lattice type:
diamond
modelname:
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_W__MO_390128289865_004

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

Optimization terminated successfully.
         Current function value: -28.389096
         Iterations: 33
         Function evaluations: 68
{'lattice_constant': 6.217115581035614, 'cohesive_energy': 3.5486370624935306, 'element': 'W', 'species': 'W" "W" "W" "W" "W" "W" "W" "W', 'crystal_structure': 'diamond', 'space_group': 'Fd-3m', 'wyckoff_code': '8a', 'basis_atoms': '[[0.0 0.0 0.0] [0.25 0.25 0.25] [0.5 0.5 0.0] [0.75 0.75 0.25] [0.5 0.0 0.5] [0.75 0.25 0.75] [0.0 0.5 0.5] [0.25 0.75 0.75]]', 'iterations': 33, 'func_calls': 68, 'warnflag': 0, 'repeat': 0}