element=lattice type=modelname=Te bcc 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: -4.344865 Iterations: 30 Function evaluations: 60 {'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 2.1724326118125523, 'space_group': 'Im-3m', 'element': 'Te', 'lattice_constant': 3.8927508294582367, 'wyckoff_code': '2a', 'crystal_structure': 'bcc', 'iterations': 30, 'warnflag': 0, 'species': 'Te" "Te', 'func_calls': 60}