element:
Li
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: -6.609430
         Iterations: 32
         Function evaluations: 64
{'lattice_constant': 4.859924718737602, 'cohesive_energy': 1.6523574728408366, 'element': 'Li', 'species': 'Li" "Li" "Li" "Li', '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': 32, 'func_calls': 64, 'warnflag': 0, 'repeat': 0}