| 1 |
gezelter |
156 |
begin ShapeInfo |
| 2 |
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#name mass I_xx I_yy I_zz |
| 3 |
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samples/C70 840.749 8377.89 8306.74 6956.03 |
| 4 |
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end ShapeInfo |
| 5 |
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| 6 |
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begin ContactFunctions |
| 7 |
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#l m sin or cos coeff (Ang) |
| 8 |
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0 0 cos 9.97928 |
| 9 |
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2 0 cos 0.925133 |
| 10 |
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4 0 cos -0.266449 |
| 11 |
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6 0 cos 0.151294 |
| 12 |
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end ContactFunctions |
| 13 |
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| 14 |
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begin RangeFunctions |
| 15 |
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#l m sin or cos coeff (Ang) |
| 16 |
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0 0 cos 3.76283 |
| 17 |
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1 0 cos 0.042362 |
| 18 |
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1 1 sin -0.0500732 |
| 19 |
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2 0 cos -0.0654695 |
| 20 |
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2 1 cos -0.0441182 |
| 21 |
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3 0 cos 0.0769807 |
| 22 |
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3 1 cos 0.0433802 |
| 23 |
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4 0 cos -0.17225 |
| 24 |
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4 1 sin 0.0434766 |
| 25 |
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5 0 cos 0.0730287 |
| 26 |
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6 0 cos -0.104832 |
| 27 |
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7 0 cos 0.0425696 |
| 28 |
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end RangeFunctions |
| 29 |
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| 30 |
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begin StrengthFunctions |
| 31 |
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#l m sin or cos coeff (kcal/mol) |
| 32 |
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0 0 cos 4.86968 |
| 33 |
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1 0 cos 0.134702 |
| 34 |
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1 1 cos 0.112275 |
| 35 |
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2 0 cos -0.419571 |
| 36 |
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3 0 cos -0.158304 |
| 37 |
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4 0 cos 0.649972 |
| 38 |
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6 0 cos -0.418931 |
| 39 |
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end StrengthFunctions |
