element:
Na
lattice type:
sc
modelname:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001

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

Optimization terminated successfully.
         Current function value: -0.764834
         Iterations: 29
         Function evaluations: 59
{'lattice_constant': 3.5009406208992004, 'cohesive_energy': 0.7648344537461453, 'element': 'Na', 'species': 'Na', 'crystal_structure': 'sc', 'space_group': 'Pm-3m', 'wyckoff_code': '1a', 'basis_atoms': '[[0.0 0.0 0.0]]', 'iterations': 29, 'func_calls': 59, 'warnflag': 0, 'repeat': 0}