1 |
begin ShapeInfo |
2 |
#name mass I_xx I_yy I_zz |
3 |
samples/C70 840.749 8377.89 8306.74 6956.03 |
4 |
end ShapeInfo |
5 |
|
6 |
begin ContactFunctions |
7 |
#l m sin or cos coeff (Ang) |
8 |
0 0 cos 9.97928 |
9 |
2 0 cos 0.925133 |
10 |
4 0 cos -0.266449 |
11 |
6 0 cos 0.151294 |
12 |
end ContactFunctions |
13 |
|
14 |
begin RangeFunctions |
15 |
#l m sin or cos coeff (Ang) |
16 |
0 0 cos 3.76283 |
17 |
1 0 cos 0.042362 |
18 |
1 1 sin -0.0500732 |
19 |
2 0 cos -0.0654695 |
20 |
2 1 cos -0.0441182 |
21 |
3 0 cos 0.0769807 |
22 |
3 1 cos 0.0433802 |
23 |
4 0 cos -0.17225 |
24 |
4 1 sin 0.0434766 |
25 |
5 0 cos 0.0730287 |
26 |
6 0 cos -0.104832 |
27 |
7 0 cos 0.0425696 |
28 |
end RangeFunctions |
29 |
|
30 |
begin StrengthFunctions |
31 |
#l m sin or cos coeff (kcal/mol) |
32 |
0 0 cos 4.86968 |
33 |
1 0 cos 0.134702 |
34 |
1 1 cos 0.112275 |
35 |
2 0 cos -0.419571 |
36 |
3 0 cos -0.158304 |
37 |
4 0 cos 0.649972 |
38 |
6 0 cos -0.418931 |
39 |
end StrengthFunctions |