| 55 |
|
Br 79.904 |
| 56 |
|
Kr 83.80 |
| 57 |
|
U 1.00 |
| 58 |
< |
GB 48.0428 |
| 58 |
> |
GBPaper 48.0428 |
| 59 |
|
linear 48.0428 |
| 60 |
|
end AtomTypes |
| 61 |
|
|
| 69 |
|
SSD_RF 1.7696 0.6145 1.1550 |
| 70 |
|
TAP 1.7696 0.6145 1.1550 |
| 71 |
|
HEAD 1125 1125 250 |
| 72 |
< |
GB 86.477 86.477 0 |
| 72 |
> |
GBPaper 86.477 86.477 0 |
| 73 |
|
linear 86.477 86.477 0 |
| 74 |
|
end DirectionalAtomTypes |
| 75 |
|
|
| 76 |
|
begin GayBerneAtomTypes |
| 77 |
< |
//Name Sigma 12b_ratio eps eps_ratio mu nu |
| 78 |
< |
GBPaper 3.35 3 .774729 .2 2.0 1.0 |
| 79 |
< |
linear 2.8104 3.555721 .774729 .150814 2.0 1.0 |
| 77 |
> |
//Name Sigma l2b_ratio eps eps_ratio mu nu |
| 78 |
> |
GBPaper 3.35 3.0 0.774729 0.2 2.0 1.0 |
| 79 |
> |
linear 2.8104 3.555721 0.774729 0.150814 2.0 1.0 |
| 80 |
|
end GayBerneAtomTypes |
| 81 |
|
|
| 82 |
|
begin LennardJonesAtomTypes |
