element:
Rb
lattice type:
fcc
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: -3.348831
         Iterations: 33
         Function evaluations: 66
{'lattice_constant': 6.984698161482811, 'cohesive_energy': 0.8372078557294025, 'element': 'Rb', 'species': 'Rb" "Rb" "Rb" "Rb', 'crystal_structure': 'fcc', 'space_group': 'Fm-3m', 'wyckoff_code': '4a', 'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.0] [0.5 0.0 0.5] [0.0 0.5 0.5]]', 'iterations': 33, 'func_calls': 66, 'warnflag': 0, 'repeat': 0}