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. Author manuscript; available in PMC: 2022 Nov 15.
Published in final edited form as: J Chem Theory Comput. 2021 Oct 26;17(11):7056–7084. doi: 10.1021/acs.jctc.1c00628

Table 5.

Ice properties from HIPPO model compared with experimental density (kg/m3) and lattice energy (kcal/mol).

Density Lattice Energy
HIPPO Expta Diff % Error HIPPO Refb Diff % Error
Ice XI 949.9 934 15.9 1.7 −13.804 −14.10 0.3 −2.1
Ice Ih 910.8 920 −9.2 −1.0 −13.699 −14.07 0.4 −2.8
Ice IX 1164.8 1194 −29.2 −2.4 −13.769 −13.97 0.2 −1.4
Ice XIV 1316.7 1294 22.7 1.8 −13.360 −13.74 0.4 −2.9
Ice XV 1355.6 1364 −8.4 −0.6 −13.365 −13.48 0.1 −0.8
Ice Ic 951.8 931 20.8 2.2
Ice Ica 947.2 931 17.2 1.8
Ice XIII 1279.1 1251 28.1 2.2
MAD: 18.9 MAD: 0.3
a

Experimental values from reference 89.

b

Values from the ICE10 data set.90