element=lattice type=modelname=Se bcc 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: -4.166401
         Iterations: 31
         Function evaluations: 63
{'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 2.0832004243121784, 'space_group': 'Im-3m', 'element': 'Se', 'lattice_constant': 3.666312947869301, 'wyckoff_code': '2a', 'crystal_structure': 'bcc', 'iterations': 31, 'warnflag': 0, 'species': 'Se" "Se', 'func_calls': 63}