element=lattice type=modelname=Ne diamond Pair_Lennard_Jones_Shifted_Bernardes_HighCutoff_Ne__MO_966254629593_002

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

Optimization terminated successfully.
         Current function value: -0.019826
         Iterations: 33
         Function evaluations: 68
{'basis_atoms': '[[0.0 0.0 0.0] [0.25 0.25 0.25] [0.0 0.5 0.5] [0.25 0.75 0.75] [0.5 0.0 0.5] [0.75 0.25 0.75] [0.5 0.5 0.0] [0.75 0.75 0.25]]', 'repeat': 0, 'cohesive_energy': 0.009913053960166977, 'space_group': 'Fd-3m', 'element': 'Ne', 'lattice_constant': 6.83204197883606, 'wyckoff_code': '8a', 'crystal_structure': 'diamond', 'iterations': 33, 'warnflag': 0, 'species': 'Ne" "Ne" "Ne" "Ne" "Ne" "Ne" "Ne" "Ne', 'func_calls': 68}