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Key GIST quantities
| Quantity | Description | Units |
|---|---|---|
| [a]TSsix | Total entropy density | kcal/mol/Å3 |
| [a]TStrans | Translational entropy density | kcal/mol/Å3 |
| [a]TSorient | Orientational entropy density | kcal/mol/Å3 |
| [a]Eww | Water–water energy density | kcal/mol/Å3 |
| [a]Esw | Solute–water energy density | kcal/mol/Å3 |
| Neighbor count | Mean number of water neighbors[b] | Molecules |
[a] Corresponding normalized quantities also reported
[b] Neighbors are defined as two water molecules with an O–O distance of 3.5 Å or less
