element: Te lattice type: sc modelname: Sim_LAMMPS_BOP_WardZhouWong_2012_CdTe__SM_509819366101_000 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -4.326676 Iterations: 28 Function evaluations: 57 {'lattice_constant': 3.233061984181404, 'cohesive_energy': 4.326676010995019, 'element': 'Te', 'species': 'Te', 'crystal_structure': 'sc', 'space_group': 'Pm-3m', 'wyckoff_code': '1a', 'basis_atoms': '[[0.0 0.0 0.0]]', 'iterations': 28, 'func_calls': 57, 'warnflag': 0, 'repeat': 0}