element: O lattice type: sc 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: -0.414495 Iterations: 27 Function evaluations: 54 {'lattice_constant': 2.1493761390447617, 'cohesive_energy': 0.4144954771619826, 'element': 'O', 'species': 'O', 'crystal_structure': 'sc', 'space_group': 'Pm-3m', 'wyckoff_code': '1a', 'basis_atoms': '[[0.0 0.0 0.0]]', 'iterations': 27, 'func_calls': 54, 'warnflag': 0, 'repeat': 0}