| 142 |
|
used in calculations involving SPC/E, TIP4P, and TIP5P. The unit cell |
| 143 |
|
of this crystal (Fig. \ref{iceiCell}B) is similar to the Ice-{\it i} |
| 144 |
|
unit it is extended in the direction of the (001) face and compressed |
| 145 |
< |
along the other two faces. |
| 145 |
> |
along the other two faces. There is typically a small unit cell |
| 146 |
> |
distortion of Ice-{\it i}$^\prime$ that converts the normally square |
| 147 |
> |
tetramer into a rhombus with alternating 85 and 95 degree angles. The |
| 148 |
> |
degree of this distortion is model dependent and significant enough to |
| 149 |
> |
split the tetramer diagonal location peak in the radial distibution |
| 150 |
> |
function. |
| 151 |
|
|
| 152 |
|
\section{Methods} |
| 153 |
|
|
