The potential-energy data were evaluated with k = 1 and compared between CMD and AIMD. Since the force data are abundant and directly related to the force-field parameters, w f was set to be greater than 0.7, and w s and w e were set to 0.2 and 0.1, respectively. The force-field parameters (o1=, c3', c3b, hb, and Ho) related to vdW, bond, angle, dihedral, and improper interactions that were not found in the COMPASS database were only parameterized to be minimized in χ(x). The parameters related to Ho, hw, ow, and o1= were W i > 1; other parameters were set to 1.