| 431 |
|
for both the TIP3P and SPC/E water models; however, the narrowing of |
| 432 |
|
the free energy differences between the various solid forms is |
| 433 |
|
significant enough that it becomes less clear that it is the most |
| 434 |
< |
stable polymorph in the SPC/E. The free energies of Ice-{\it i} and |
| 435 |
< |
ice B nearly overlap within error, with ice $I_c$ just outside as |
| 436 |
< |
well, indicating that Ice-{\it i} might be metastable with respect to |
| 437 |
< |
ice B and possibly ice $I_c$ in the SPC/E water model. However, these |
| 438 |
< |
results do not significantly alter the finding that the Ice-{\it i} |
| 439 |
< |
polymorph is a stable crystal structure that should be considered when |
| 440 |
< |
studying the phase behavior of water models. |
| 434 |
> |
stable polymorph with the SPC/E model. The free energies of Ice-{\it |
| 435 |
> |
i} and ice B nearly overlap within error, with ice $I_c$ just outside |
| 436 |
> |
as well, indicating that Ice-{\it i} might be metastable with respect |
| 437 |
> |
to ice B and possibly ice $I_c$ with SPC/E. However, these results do |
| 438 |
> |
not significantly alter the finding that the Ice-{\it i} polymorph is |
| 439 |
> |
a stable crystal structure that should be considered when studying the |
| 440 |
> |
phase behavior of water models. |
| 441 |
|
|
| 442 |
|
\begin{table*} |
| 443 |
|
\begin{minipage}{\linewidth} |
