element:
Zn
lattice type:
bcc
modelname:
Tersoff_LAMMPS_ErhartJuslinGoy_2006_ZnO__MO_616776018688_004

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

Optimization terminated successfully.
         Current function value: -2.409252
         Iterations: 28
         Function evaluations: 56
{'lattice_constant': 3.0682323575019836, 'cohesive_energy': 1.2046257581406632, 'element': 'Zn', 'species': 'Zn" "Zn', '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': 56, 'warnflag': 0, 'repeat': 0}