element=lattice type=modelname=Cs diamond 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: -2.113973
         Iterations: 35
         Function evaluations: 72
{'basis_atoms': '[[0.0 0.0 0.0] [0.25 0.25 0.25] [0.5 0.5 0.0] [0.75 0.75 0.25] [0.5 0.0 0.5] [0.75 0.25 0.75] [0.0 0.5 0.5] [0.25 0.75 0.75]]', 'repeat': 0, 'cohesive_energy': 0.26424664864609604, 'space_group': 'Fd-3m', 'element': 'Cs', 'lattice_constant': 9.948283851146698, 'wyckoff_code': '8a', 'crystal_structure': 'diamond', 'iterations': 35, 'warnflag': 0, 'species': 'Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs', 'func_calls': 72}