element:
Te
lattice type:
bcc
modelname:
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: -4.344863
         Iterations: 30
         Function evaluations: 62
{'lattice_constant': 3.8927500247955322, 'cohesive_energy': 2.1724313272778435, 'element': 'Te', 'species': 'Te" "Te', 'crystal_structure': 'bcc', 'space_group': 'Im-3m', 'wyckoff_code': '2a', 'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'iterations': 30, 'func_calls': 62, 'warnflag': 0, 'repeat': 0}