element:
Ge
lattice type:
bcc
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: -0.049582
         Iterations: 42
         Function evaluations: 90
{'lattice_constant': 3.7027213349938393, 'cohesive_energy': 0.024791082082387523, 'element': 'Ge', 'species': 'Ge" "Ge', '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': 42, 'func_calls': 90, 'warnflag': 0, 'repeat': 0}