element=lattice type=modelname=Ne sc Pair_Lennard_Jones_Shifted_Bernardes_MedCutoff_Ne__MO_160637895352_002 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -0.016964 Iterations: 27 Function evaluations: 55 {'basis_atoms': '[[0.0 0.0 0.0]]', 'repeat': 0, 'cohesive_energy': 0.016964312441577808, 'space_group': 'Pm-3m', 'element': 'Ne', 'lattice_constant': 2.92886383831501, 'wyckoff_code': '1a', 'crystal_structure': 'sc', 'iterations': 27, 'warnflag': 0, 'species': 'Ne', 'func_calls': 55}