To test the performance of the new PIM potential, we first compare structural data from PIM and AIMD simulations using the boxes used as training sets. The calculated bond lengths and coordination numbers from the PIM agree well with the AIMD data as shown in Table . For La-Cl, the AIMD data from Guan et al. are used as a reference. Note that the latter study was performed with a different DFT exchange-correlation functional. The predictions of ion pair distances and coordination numbers from PIM and N-POL MD at both conditions are listed in