element=lattice type=modelname=Kr bcc LJ_Shifted_Bernardes_1958HighCutoff_Kr__MO_923895531627_003

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

Optimization terminated successfully.
         Current function value: -0.228137
         Iterations: 31
         Function evaluations: 63
{'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 0.11406825049589475, 'space_group': 'Im-3m', 'element': 'Kr', 'lattice_constant': 4.50510298460722, 'wyckoff_code': '2a', 'crystal_structure': 'bcc', 'iterations': 31, 'warnflag': 0, 'species': 'Kr" "Kr', 'func_calls': 63}