element: Kr lattice type: bcc modelname: LJ_Shifted_Bernardes_1958MedCutoff_Kr__MO_984281096460_004 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -0.222716 Iterations: 31 Function evaluations: 64 {'lattice_constant': 4.509497404098511, 'cohesive_energy': 0.11135798951571069, 'element': 'Kr', 'species': 'Kr" "Kr', 'crystal_structure': 'bcc', 'space_group': 'Im-3m', 'wyckoff_code': '2a', 'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'iterations': 31, 'func_calls': 64, 'warnflag': 0, 'repeat': 0}