element=lattice type=modelname=Cd fcc 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: -4.512770 Iterations: 31 Function evaluations: 62 {'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': 1.1281925301426192, 'space_group': 'Fm-3m', 'element': 'Cd', 'lattice_constant': 4.452126190066338, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 31, 'warnflag': 0, 'species': 'Cd" "Cd" "Cd" "Cd', 'func_calls': 62}