The final values were angular and radial cutoffs (R c ) of 9.66 Å and 9.53 Å, respectively, radial R s terms of 1 Å, 2.8665 Å, and 4.733 Å, angular θ s terms of 0 and π rad each with R s values of 2.0 Å, η R and η A values of 2.8 Å -2 and 2.5 Å -2 , respectively, and a ζ value of 4.0.