element=lattice type=modelname=Kr fcc LJ_Shifted_Bernardes_1958MedCutoff_Kr__MO_984281096460_003

Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms

Optimization terminated successfully.
         Current function value: -0.465827
         Iterations: 34
         Function evaluations: 70
{'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]]', 'repeat': 0, 'cohesive_energy': 0.11645666763924624, 'space_group': 'Fm-3m', 'element': 'Kr', 'lattice_constant': 5.63442887365818, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 34, 'warnflag': 0, 'species': 'Kr" "Kr" "Kr" "Kr', 'func_calls': 70}