element:
Ne
lattice type:
bcc
modelname:
LJ_Shifted_Bernardes_1958HighCutoff_Ne__MO_966254629593_003

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

Optimization terminated successfully.
         Current function value: -0.050517
         Iterations: 29
         Function evaluations: 60
{'lattice_constant': 3.38191294670105, 'cohesive_energy': 0.02525851554787888, 'element': 'Ne', 'species': 'Ne" "Ne', 'crystal_structure': 'bcc', 'space_group': 'Im-3m', 'wyckoff_code': '2a', 'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'iterations': 29, 'func_calls': 60, 'warnflag': 0, 'repeat': 0}