element:
F
lattice type:
sc
modelname:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000

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

Optimization terminated successfully.
         Current function value: -0.646920
         Iterations: 29
         Function evaluations: 58
{'lattice_constant': 3.2933699190616608, 'cohesive_energy': 0.6469201693854906, 'element': 'F', 'species': 'F', 'crystal_structure': 'sc', 'space_group': 'Pm-3m', 'wyckoff_code': '1a', 'basis_atoms': '[[0.0 0.0 0.0]]', 'iterations': 29, 'func_calls': 58, 'warnflag': 0, 'repeat': 0}