element:
Ge
lattice type:
bcc
modelname:
Tersoff_LAMMPS_MahdizadehAkhlamadi_2017_Ge__MO_344019981553_000

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

Optimization terminated successfully.
         Current function value: -9.678125
         Iterations: 28
         Function evaluations: 57
{'lattice_constant': 3.070082277059555, 'cohesive_energy': 4.839062375840781, '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': 28, 'func_calls': 57, 'warnflag': 0, 'repeat': 0}