1 |
|
2 |
2 |
< |
99991; 59.7166 0 0; 0 59.7166 0; 0 0 59.7166; -0.00400019 11.42; |
3 |
< |
SSD 1.139005 0.029470 0.017771 0.000081 -0.000251 0.000022 0.672889 -0.517317 -0.513436 0.126442 0.001472 0.003632 -0.000903 |
4 |
< |
Cl- 4.860995 -0.029470 -0.017771 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 |
2 |
> |
1000; 59.7166 0 0; 0 59.7166 0; 0 0 59.7166; 0.0385672 36.2096 ;0 0 0; 0 0 0; 0 0 0; |
3 |
> |
TIP4P_RB_0 1.817450 -1.440934 0.945913 -0.000000 -0.000000 0.000000 0.283151 -0.651159 -0.587958 -0.387457 -0.000000 -0.000000 0.000000 |
4 |
> |
Cl- 4.596242 0.717716 -0.489407 0.000000 0.000000 -0.000000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 |