element=lattice type=modelname=Te diamond Sim_LAMMPS_BOP_ZhouFosterVanSwol_2014_CdTeSe__SM_567065323363_000

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

Optimization terminated successfully.
         Current function value: -3.886487
         Iterations: 34
         Function evaluations: 69
{'basis_atoms': '[[0.0 0.0 0.0] [0.25 0.25 0.25] [0.0 0.5 0.5] [0.25 0.75 0.75] [0.5 0.0 0.5] [0.75 0.25 0.75] [0.5 0.5 0.0] [0.75 0.75 0.25]]', 'repeat': 0, 'cohesive_energy': 1.9432433374880376, 'space_group': 'Fd-3m', 'element': 'Te', 'lattice_constant': 7.234085366129875, 'wyckoff_code': '8a', 'crystal_structure': 'diamond', 'iterations': 34, 'warnflag': 0, 'species': 'Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te', 'func_calls': 69}