Note The Kozack-Jordan 4 site water potential Note JCP vol 96,no.4,3120(1992) Types O Z 8 H Z 1 D Z 0 mass 0 nolabel End Molecule Water1 at 0.006 -8.422 -5.892 rotated 0 0 0 O at 0.0 0.0 0.0 type O rank 0 Q00 = 1.2456 H1 at polar 1.80847 127.75 0 type H rank 0 Q00 = 0.6228 H2 at polar 1.80847 127.75 180 type H rank 0 Q00 = 0.6228 D at 0.0 0.0 -0.260782 type D rank 0 Q00 = -2.4912 End Molecule Water2 at -6.190 -3.444 8.994 rotated 0 0 0 O at 0.0 0.0 0.0 type O rank 0 Q00 = 1.2456 H1 at polar 1.80847 127.75 0 type H rank 0 Q00 = 0.6228 H2 at polar 1.80847 127.75 180 type H rank 0 Q00 = 0.6228 D at 0.0 0.0 -0.260782 type D rank 0 Q00 = -2.4912 End Polarizabilities for Water1 Read rank 1 site D ( 00 10 11c 11s) (00) 0.0 0.0 0.0 0.0 (10) 0.0 9.920049508 0.0 0.0 (11c) 0.0 0.0 9.920049508 0.0 (11s) 0.0 0.0 0.0 9.920049508 End Polarizabilities for Water2 Read rank 1 site D ( 00 10 11c 11s) (00) 0.0 0.0 0.0 0.0 (10) 0.0 9.920049508 0.0 0.0 (11c) 0.0 0.0 9.920049508 0.0 (11s) 0.0 0.0 0.0 9.920049508 End Pairs D D C6 C12 00 00 0 123.7193182 -5717235.754 End End units kJ/mol switch induce on iterate on