As seen there is very good agreement, and we find this interesting and significant as the three potentials, albeit all at a CCSD(T) level, are different in architecture. Also note the self-diffusion constant obtained from this NN-TL force field (from NVT TRPMD), 0.221 ± 0.06 Å 2 /ps , is in good agreement with the present one of 0.233 ± 0.027 Å 2 /ps (from NPT TRPMD).