element=lattice type=modelname=Cd diamond Sim_LAMMPS_BOP_WardZhouWong_2013_CdZnTe__SM_010061267051_000

Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms

Optimization terminated successfully.
         Current function value: -5.802513
         Iterations: 33
         Function evaluations: 67
{'basis_atoms': '[[0.0 0.0 0.0] [0.25 0.25 0.25] [0.5 0.5 0.0] [0.75 0.75 0.25] [0.5 0.0 0.5] [0.75 0.25 0.75] [0.0 0.5 0.5] [0.25 0.75 0.75]]', 'repeat': 0, 'cohesive_energy': 0.7253140812950772, 'space_group': 'Fd-3m', 'element': 'Cd', 'lattice_constant': 6.871007725596428, 'wyckoff_code': '8a', 'crystal_structure': 'diamond', 'iterations': 33, 'warnflag': 0, 'species': 'Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd', 'func_calls': 67}