element=lattice type=modelname=Li bcc 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: -3.351750
         Iterations: 30
         Function evaluations: 60
{'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 1.6758751011118804, 'space_group': 'Im-3m', 'element': 'Li', 'lattice_constant': 3.8898500874638557, 'wyckoff_code': '2a', 'crystal_structure': 'bcc', 'iterations': 30, 'warnflag': 0, 'species': 'Li" "Li', 'func_calls': 60}