element=lattice type=modelname=K sc 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: -0.503782 Iterations: 31 Function evaluations: 63 {'basis_atoms': '[[0.0 0.0 0.0]]', 'repeat': 0, 'cohesive_energy': 0.5037816617137656, 'space_group': 'Pm-3m', 'element': 'K', 'lattice_constant': 4.293892472982407, 'wyckoff_code': '1a', 'crystal_structure': 'sc', 'iterations': 31, 'warnflag': 0, 'species': 'K', 'func_calls': 63}