1 |
begin ShapeInfo |
2 |
#name mass I_xx I_yy I_zz |
3 |
samples/C60 720.6 5883.22 5881.98 5878.34 |
4 |
end ShapeInfo |
5 |
|
6 |
begin ContactFunctions |
7 |
#l m sin or cos coeff (Ang) |
8 |
0 0 cos 9.66517 |
9 |
end ContactFunctions |
10 |
|
11 |
begin RangeFunctions |
12 |
#l m sin or cos coeff (Ang) |
13 |
0 0 cos 3.91493 |
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2 0 cos 0.0630602 |
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2 2 cos -0.0492332 |
16 |
4 1 sin -0.104406 |
17 |
end RangeFunctions |
18 |
|
19 |
begin StrengthFunctions |
20 |
#l m sin or cos coeff (kcal/mol) |
21 |
0 0 cos 6.23025 |
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6 0 cos -0.140875 |
23 |
6 1 cos 0.125529 |
24 |
6 1 sin 0.0864177 |
25 |
end StrengthFunctions |