element:
O
lattice type:
bcc
modelname:
Tersoff_LAMMPS_ErhartJuslinGoy_2006_ZnO__MO_616776018688_002

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

Optimization terminated successfully.
         Current function value: -0.683989
         Iterations: 25
         Function evaluations: 50
{'lattice_constant': 2.6891717985272408, 'cohesive_energy': 0.34199435843528786, 'element': 'O', 'species': 'O" "O', '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': 25, 'func_calls': 50, 'warnflag': 0, 'repeat': 0}