element:
Ge
lattice type:
fcc
modelname:
ThreeBodyBondOrder_KDS_KhorDasSarma_1988_Ge__MO_216597146527_000

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

Optimization terminated successfully.
         Current function value: -0.000351
         Iterations: 34
         Function evaluations: 72
{'lattice_constant': 4.647694803774357, 'cohesive_energy': 8.764297654681878e-05, 'element': 'Ge', 'species': 'Ge" "Ge" "Ge" "Ge', 'crystal_structure': 'fcc', 'space_group': 'Fm-3m', 'wyckoff_code': '4a', 'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.0] [0.5 0.0 0.5] [0.0 0.5 0.5]]', 'iterations': 34, 'func_calls': 72, 'warnflag': 0, 'repeat': 0}