[Tabulation] target : DL_POLY cutoff : 6.5 nr : 652 [Pair] O-O = as.buck 1633.010242995040 0.327022 3.948787 U-U = as.buck 294.640906285709 0.327022 0.0 O-U = sum(as.buck 693.650933805978 0.327022 0.0, as.morse 1.65 2.369 0.577189831995)