element=lattice type=modelname=Kr fcc LJ_Shifted_Bernardes_1958LowCutoff_Kr__MO_995724792024_003

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

Optimization terminated successfully.
         Current function value: -0.107997
         Iterations: 32
         Function evaluations: 65
{'basis_atoms': '[[0.0 0.0 0.0] [0.0 0.5 0.5] [0.5 0.0 0.5] [0.5 0.5 0.0]]', 'repeat': 0, 'cohesive_energy': 0.10799671681197714, 'space_group': 'Fm-3m', 'element': 'Kr', 'lattice_constant': 5.65357905626297, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 32, 'warnflag': 0, 'species': 'Kr" "Kr" "Kr" "Kr', 'func_calls': 65}