element: Zn lattice type: fcc 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: -5.299411 Iterations: 30 Function evaluations: 61 {'lattice_constant': 3.8162460178136826, 'cohesive_energy': 1.3248526854304459, 'element': 'Zn', 'species': 'Zn" "Zn" "Zn" "Zn', 'crystal_structure': 'fcc', 'space_group': 'Fm-3m', 'wyckoff_code': '4a', '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]]', 'iterations': 30, 'func_calls': 61, 'warnflag': 0, 'repeat': 0}