element=lattice type=modelname=O fcc 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: -1.246384 Iterations: 29 Function evaluations: 58 {'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]]', 'repeat': 0, 'cohesive_energy': 0.3115959230559544, 'space_group': 'Fm-3m', 'element': 'O', 'lattice_constant': 3.410830944776535, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 29, 'warnflag': 0, 'species': 'O" "O" "O" "O', 'func_calls': 58}