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答网友:足球的顶点坐标
足球和C60以及其他Fullerene结构的顶点坐标,计算方法都可以是一样的。
如果它们的对称性都是Ih点群,那么,只要用Ih的120个矩阵操作其中一个顶点的坐标,就可以求得其他59个坐标。
凡是坐标,都是有个参照坐标系的问题。也就是说,原点在哪里?X轴Y轴Z轴如何选取?
我把对称性最高的轴(过球心的两个五边形中心连线)给了Z轴,Y轴穿越6/6棱的中点,X轴被置于一个没有任何对称性的方向上。
Z轴穿越五边形中心,Y轴穿越6/6棱的中点,X轴穿越六边形而偏离中心
图 点群Ih对称性和笛卡儿坐标系的安放
网友要求:d56=d66=1,计算C60的顶点的坐标。结果如下:
1,":",.850651,0,2.327438," R=",2.478018 1,"d2=",.9999999 "ATOM1=",.850651,0,2.327438 "ATOM2=",.262866,.809017,2.327438 2,"d2=",.9999999 "ATOM1=",.850651,0,2.327438 "ATOM2=",.262866,-.809017,2.327438 3,"d2=",.9999987 "ATOM1=",.850651,0,2.327438 "ATOM2=",1.701301,0,1.801708 4,"d2=",1 "ATOM1=",.262866,.809017,2.327438 "ATOM2=",-.688191,.5,2.327438 5,"d2=",.9999999 "ATOM1=",.262866,.809017,2.327438 "ATOM2=",.52573,1.618035,1.801708 6,"d2=",1 "ATOM1=",.262866,-.809017,2.327438 "ATOM2=",-.688191,-.5,2.327438 7,"d2=",.9999999 "ATOM1=",.262866,-.809017,2.327438 "ATOM2=",.52573,-1.618035,1.801708 8,"d2=",1 "ATOM1=",-.688191,.5,2.327438 "ATOM2=",-.688191,-.5,2.327438 9,"d2=",.9999996 "ATOM1=",-.688191,.5,2.327438 "ATOM2=",-1.376383,.999999,1.801708 10,"d2=",.9999996 "ATOM1=",-.688191,-.5,2.327438 "ATOM2=",-1.376383,-.999999,1.801708 11,"d2=",.9999998 "ATOM1=",1.701301,0,1.801708 "ATOM2=",1.964166,.809017,1.275977 12,"d2=",.9999998 "ATOM1=",1.701301,0,1.801708 "ATOM2=",1.964166,-.809017,1.275977 13,"d2=",1 "ATOM1=",.52573,1.618035,1.801708 "ATOM2=",1.376381,1.618035,1.275977 14,"d2=",1 "ATOM1=",.52573,1.618035,1.801708 "ATOM2=",-.162461,2.118035,1.275977 15,"d2=",1 "ATOM1=",.52573,-1.618035,1.801708 "ATOM2=",1.376381,-1.618035,1.275977 16,"d2=",1 "ATOM1=",.52573,-1.618035,1.801708 "ATOM2=",-.162461,-2.118035,1.275977 17,"d2=",1.000001 "ATOM1=",-1.376383,.999999,1.801708 "ATOM2=",-1.113517,1.809017,1.275977 18,"d2=",.9999995 "ATOM1=",-1.376383,.999999,1.801708 "ATOM2=",-2.064574,.5,1.275977 19,"d2=",1.000001 "ATOM1=",-1.376383,-.999999,1.801708 "ATOM2=",-1.113517,-1.809017,1.275977 20,"d2=",.9999995 "ATOM1=",-1.376383,-.999999,1.801708 "ATOM2=",-2.064574,-.5,1.275977 21,"d2=",1.000001 "ATOM1=",1.964166,.809017,1.275977 "ATOM2=",1.376381,1.618035,1.275977 22,"d2=",1 "ATOM1=",1.964166,.809017,1.275977 "ATOM2=",2.389492,.5,.425326 23,"d2=",1.000001 "ATOM1=",1.964166,-.809017,1.275977 "ATOM2=",1.376381,-1.618035,1.275977 24,"d2=",1 "ATOM1=",1.964166,-.809017,1.275977 "ATOM2=",2.389492,-.5,.425326 25,"d2=",1 "ATOM1=",1.376381,1.618035,1.275977 "ATOM2=",1.213921,2.118035,.425326 26,"d2=",1 "ATOM1=",1.376381,-1.618035,1.275977 "ATOM2=",1.213921,-2.118035,.425326 27,"d2=",.9999999 "ATOM1=",-.162461,2.118035,1.275977 "ATOM2=",-1.113517,1.809017,1.275977 28,"d2=",1 "ATOM1=",-.162461,2.118035,1.275977 "ATOM2=",.262865,2.427051,.425326 29,"d2=",.9999999 "ATOM1=",-.162461,-2.118035,1.275977 "ATOM2=",-1.113517,-1.809017,1.275977 30,"d2=",1 "ATOM1=",-.162461,-2.118035,1.275977 "ATOM2=",.262865,-2.427051,.425326 31,"d2=",1 "ATOM1=",-1.113517,1.809017,1.275977 "ATOM2=",-1.639248,1.809017,.425326 32,"d2=",1 "ATOM1=",-1.113517,-1.809017,1.275977 "ATOM2=",-1.639248,-1.809017,.425326 33,"d2=",1 "ATOM1=",-2.064574,.5,1.275977 "ATOM2=",-2.064574,-.5,1.275977 34,"d2=",.9999995 "ATOM1=",-2.064574,.5,1.275977 "ATOM2=",-2.227033,.999999,.425326 35,"d2=",.9999995 "ATOM1=",-2.064574,-.5,1.275977 "ATOM2=",-2.227033,-.999999,.425326 36,"d2=",1 "ATOM1=",2.389492,.5,.425326 "ATOM2=",2.389492,-.5,.425326 37,"d2=",1 "ATOM1=",2.389492,.5,.425326 "ATOM2=",2.227033,.999999,-.425326 38,"d2=",1 "ATOM1=",2.389492,-.5,.425326 "ATOM2=",2.227033,-.999999,-.425326 39,"d2=",.9999992 "ATOM1=",1.213921,2.118035,.425326 "ATOM2=",.262865,2.427051,.425326 40,"d2=",1.000002 "ATOM1=",1.213921,2.118035,.425326 "ATOM2=",1.639248,1.809017,-.425326 41,"d2=",.9999992 "ATOM1=",1.213921,-2.118035,.425326 "ATOM2=",.262865,-2.427051,.425326 42,"d2=",1.000002 "ATOM1=",1.213921,-2.118035,.425326 "ATOM2=",1.639248,-1.809017,-.425326 43,"d2=",1 "ATOM1=",.262865,2.427051,.425326 "ATOM2=",-.262865,2.427051,-.425326 44,"d2=",1 "ATOM1=",.262865,-2.427051,.425326 "ATOM2=",-.262865,-2.427051,-.425326 45,"d2=",1.000001 "ATOM1=",-1.639248,1.809017,.425326 "ATOM2=",-2.227033,.999999,.425326 46,"d2=",1.000002 "ATOM1=",-1.639248,1.809017,.425326 "ATOM2=",-1.213921,2.118035,-.425326 47,"d2=",1.000001 "ATOM1=",-1.639248,-1.809017,.425326 "ATOM2=",-2.227033,-.999999,.425326 48,"d2=",1.000002 "ATOM1=",-1.639248,-1.809017,.425326 "ATOM2=",-1.213921,-2.118035,-.425326 49,"d2=",1 "ATOM1=",-2.227033,.999999,.425326 "ATOM2=",-2.389492,.5,-.425326 50,"d2=",1 "ATOM1=",-2.227033,-.999999,.425326 "ATOM2=",-2.389492,-.5,-.425326 51,"d2=",1.000001 "ATOM1=",2.227033,.999999,-.425326 "ATOM2=",1.639248,1.809017,-.425326 52,"d2=",.9999995 "ATOM1=",2.227033,.999999,-.425326 "ATOM2=",2.064574,.5,-1.275977 53,"d2=",1.000001 "ATOM1=",2.227033,-.999999,-.425326 "ATOM2=",1.639248,-1.809017,-.425326 54,"d2=",.9999995 "ATOM1=",2.227033,-.999999,-.425326 "ATOM2=",2.064574,-.5,-1.275977 55,"d2=",1 "ATOM1=",1.639248,1.809017,-.425326 "ATOM2=",1.113517,1.809017,-1.275977 56,"d2=",1 "ATOM1=",1.639248,-1.809017,-.425326 "ATOM2=",1.113517,-1.809017,-1.275977 57,"d2=",.9999992 "ATOM1=",-.262865,2.427051,-.425326 "ATOM2=",-1.213921,2.118035,-.425326 58,"d2=",1 "ATOM1=",-.262865,2.427051,-.425326 "ATOM2=",.162461,2.118035,-1.275977 59,"d2=",.9999992 "ATOM1=",-.262865,-2.427051,-.425326 "ATOM2=",-1.213921,-2.118035,-.425326 60,"d2=",1 "ATOM1=",-.262865,-2.427051,-.425326 "ATOM2=",.162461,-2.118035,-1.275977 61,"d2=",1 "ATOM1=",-1.213921,2.118035,-.425326 "ATOM2=",-1.376381,1.618035,-1.275977 62,"d2=",1 "ATOM1=",-1.213921,-2.118035,-.425326 "ATOM2=",-1.376381,-1.618035,-1.275977 63,"d2=",1 "ATOM1=",-2.389492,.5,-.425326 "ATOM2=",-2.389492,-.5,-.425326 64,"d2=",1 "ATOM1=",-2.389492,.5,-.425326 "ATOM2=",-1.964166,.809017,-1.275977 65,"d2=",1 "ATOM1=",-2.389492,-.5,-.425326 "ATOM2=",-1.964166,-.809017,-1.275977 66,"d2=",1 "ATOM1=",2.064574,.5,-1.275977 "ATOM2=",2.064574,-.5,-1.275977 67,"d2=",.9999995 "ATOM1=",2.064574,.5,-1.275977 "ATOM2=",1.376383,.999999,-1.801708 68,"d2=",.9999995 "ATOM1=",2.064574,-.5,-1.275977 "ATOM2=",1.376383,-.999999,-1.801708 69,"d2=",.9999999 "ATOM1=",1.113517,1.809017,-1.275977 "ATOM2=",.162461,2.118035,-1.275977 70,"d2=",1.000001 "ATOM1=",1.113517,1.809017,-1.275977 "ATOM2=",1.376383,.999999,-1.801708 71,"d2=",.9999999 "ATOM1=",1.113517,-1.809017,-1.275977 "ATOM2=",.162461,-2.118035,-1.275977 72,"d2=",1.000001 "ATOM1=",1.113517,-1.809017,-1.275977 "ATOM2=",1.376383,-.999999,-1.801708 73,"d2=",1 "ATOM1=",.162461,2.118035,-1.275977 "ATOM2=",-.52573,1.618035,-1.801708 74,"d2=",1 "ATOM1=",.162461,-2.118035,-1.275977 "ATOM2=",-.52573,-1.618035,-1.801708 75,"d2=",1.000001 "ATOM1=",-1.376381,1.618035,-1.275977 "ATOM2=",-1.964166,.809017,-1.275977 76,"d2=",1 "ATOM1=",-1.376381,1.618035,-1.275977 "ATOM2=",-.52573,1.618035,-1.801708 77,"d2=",1.000001 "ATOM1=",-1.376381,-1.618035,-1.275977 "ATOM2=",-1.964166,-.809017,-1.275977 78,"d2=",1 "ATOM1=",-1.376381,-1.618035,-1.275977 "ATOM2=",-.52573,-1.618035,-1.801708 79,"d2=",.9999998 "ATOM1=",-1.964166,.809017,-1.275977 "ATOM2=",-1.701301,0,-1.801708 80,"d2=",.9999998 "ATOM1=",-1.964166,-.809017,-1.275977 "ATOM2=",-1.701301,0,-1.801708 81,"d2=",.9999996 "ATOM1=",1.376383,.999999,-1.801708 "ATOM2=",.688191,.5,-2.327438 82,"d2=",.9999996 "ATOM1=",1.376383,-.999999,-1.801708 "ATOM2=",.688191,-.5,-2.327438 83,"d2=",.9999999 "ATOM1=",-.52573,1.618035,-1.801708 "ATOM2=",-.262866,.809017,-2.327438 84,"d2=",.9999999 "ATOM1=",-.52573,-1.618035,-1.801708 "ATOM2=",-.262866,-.809017,-2.327438 85,"d2=",.9999987 "ATOM1=",-1.701301,0,-1.801708 "ATOM2=",-.850651,0,-2.327438 86,"d2=",1 "ATOM1=",.688191,.5,-2.327438 "ATOM2=",.688191,-.5,-2.327438 87,"d2=",1 "ATOM1=",.688191,.5,-2.327438 "ATOM2=",-.262866,.809017,-2.327438 88,"d2=",1 "ATOM1=",.688191,-.5,-2.327438 "ATOM2=",-.262866,-.809017,-2.327438 89,"d2=",.9999999 "ATOM1=",-.262866,.809017,-2.327438 "ATOM2=",-.850651,0,-2.327438 90,"d2=",.9999999 "ATOM1=",-.262866,-.809017,-2.327438 "ATOM2=",-.850651,0,-2.327438
2,":",.262866,.809017,2.327438," R=",2.478018
3,":",.262866,-.809017,2.327438," R=",2.478018
4,":",-.688191,.5,2.327438," R=",2.478018
5,":",-.688191,-.5,2.327438," R=",2.478018
6,":",1.701301,0,1.801708," R=",2.478019
7,":",.52573,1.618035,1.801708," R=",2.47802
8,":",.52573,-1.618035,1.801708," R=",2.47802
9,":",-1.376383,.999999,1.801708," R=",2.478019
10,":",-1.376383,-.999999,1.801708," R=",2.478019
11,":",1.964166,.809017,1.275977," R=",2.478018
12,":",1.964166,-.809017,1.275977," R=",2.478018
13,":",1.376381,1.618035,1.275977," R=",2.478019
14,":",1.376381,-1.618035,1.275977," R=",2.478019
15,":",-.162461,2.118035,1.275977," R=",2.47802
16,":",-.162461,-2.118035,1.275977," R=",2.47802
17,":",-1.113517,1.809017,1.275977," R=",2.478019
18,":",-1.113517,-1.809017,1.275977," R=",2.478019
19,":",-2.064574,.5,1.275977," R=",2.47802
20,":",-2.064574,-.5,1.275977," R=",2.47802
21,":",2.389492,.5,.425326," R=",2.478018
22,":",2.389492,-.5,.425326," R=",2.478018
23,":",1.213921,2.118035,.425326," R=",2.478019
24,":",1.213921,-2.118035,.425326," R=",2.478019
25,":",.262865,2.427051,.425326," R=",2.478019
26,":",.262865,-2.427051,.425326," R=",2.478019
27,":",-1.639248,1.809017,.425326," R=",2.478019
28,":",-1.639248,-1.809017,.425326," R=",2.478019
29,":",-2.227033,.999999,.425326," R=",2.478019
30,":",-2.227033,-.999999,.425326," R=",2.478019
31,":",2.227033,.999999,-.425326," R=",2.478019
32,":",2.227033,-.999999,-.425326," R=",2.478019
33,":",1.639248,1.809017,-.425326," R=",2.478019
34,":",1.639248,-1.809017,-.425326," R=",2.478019
35,":",-.262865,2.427051,-.425326," R=",2.478019
36,":",-.262865,-2.427051,-.425326," R=",2.478019
37,":",-1.213921,2.118035,-.425326," R=",2.478019
38,":",-1.213921,-2.118035,-.425326," R=",2.478019
39,":",-2.389492,.5,-.425326," R=",2.478018
40,":",-2.389492,-.5,-.425326," R=",2.478018
41,":",2.064574,.5,-1.275977," R=",2.47802
42,":",2.064574,-.5,-1.275977," R=",2.47802
43,":",1.113517,1.809017,-1.275977," R=",2.478019
44,":",1.113517,-1.809017,-1.275977," R=",2.478019
45,":",.162461,2.118035,-1.275977," R=",2.47802
46,":",.162461,-2.118035,-1.275977," R=",2.47802
47,":",-1.376381,1.618035,-1.275977," R=",2.478019
48,":",-1.376381,-1.618035,-1.275977," R=",2.478019
49,":",-1.964166,.809017,-1.275977," R=",2.478018
50,":",-1.964166,-.809017,-1.275977," R=",2.478018
51,":",1.376383,.999999,-1.801708," R=",2.478019
52,":",1.376383,-.999999,-1.801708," R=",2.478019
53,":",-.52573,1.618035,-1.801708," R=",2.47802
54,":",-.52573,-1.618035,-1.801708," R=",2.47802
55,":",-1.701301,0,-1.801708," R=",2.478019
56,":",.688191,.5,-2.327438," R=",2.478018
57,":",.688191,-.5,-2.327438," R=",2.478018
58,":",-.262866,.809017,-2.327438," R=",2.478018
59,":",-.262866,-.809017,-2.327438," R=",2.478018
60,":",-.850651,0,-2.327438," R=",2.478018
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