element=lattice type=modelname=Ne bcc Exp6_KongChakrabarty_1973_ArNe__MO_946046425752_002 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -0.053006 Iterations: 29 Function evaluations: 58 {'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 0.026503189125406248, 'space_group': 'Im-3m', 'element': 'Ne', 'lattice_constant': 3.369424819946289, 'wyckoff_code': '2a', 'crystal_structure': 'bcc', 'iterations': 29, 'warnflag': 0, 'species': 'Ne" "Ne', 'func_calls': 58}