This commit is contained in:
2025-07-20 10:38:42 +08:00
parent f375fa34cb
commit 89fd7175f1
13 changed files with 349 additions and 228 deletions

12
画图/AB相似/atomA.csv Normal file
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type,x,y,z,radius
0,3.08813,0.00000,10.10781,1.18
0,0.00000,0.00000,10.10781,1.18
0,1.54407,2.67440,10.10781,1.18
1,1.54407,0.89147, 9.48201,0.77
0,1.54407,0.89147, 7.58104,1.18
1,1.54407,2.67440, 6.94819,0.77
1,3.08813,0.00000, 6.94819,0.77
1,0.00000,0.00000, 6.94819,0.77
0,3.08813,0.00000, 5.05312,1.18
0,0.00000,0.00000, 5.05312,1.18
0,1.54407,2.67440, 5.05312,1.18
1 type x y z radius
2 0 3.08813 0.00000 10.10781 1.18
3 0 0.00000 0.00000 10.10781 1.18
4 0 1.54407 2.67440 10.10781 1.18
5 1 1.54407 0.89147 9.48201 0.77
6 0 1.54407 0.89147 7.58104 1.18
7 1 1.54407 2.67440 6.94819 0.77
8 1 3.08813 0.00000 6.94819 0.77
9 1 0.00000 0.00000 6.94819 0.77
10 0 3.08813 0.00000 5.05312 1.18
11 0 0.00000 0.00000 5.05312 1.18
12 0 1.54407 2.67440 5.05312 1.18

12
画图/AB相似/atomB.csv Normal file
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type,x,y,z,radius
0, 1.54407, 0.89147,7.58104,1.18
0,-1.54407, 0.89147,7.58104,1.18
0,-0.00000,-1.78294,7.58104,1.18
1, 0.00000, 0.00000,6.94819,0.77
0, 0.00000, 0.00000,5.05312,1.18
1, 0.00000, 1.78294,4.42732,0.77
1,-1.54407,-0.89147,4.42732,0.77
1, 1.54407,-0.89147,4.42732,0.77
0, 0.00000, 1.78294,2.52635,1.18
0,-1.54407,-0.89147,2.52635,1.18
0, 1.54407,-0.89147,2.52635,1.18
1 type x y z radius
2 0 1.54407 0.89147 7.58104 1.18
3 0 -1.54407 0.89147 7.58104 1.18
4 0 -0.00000 -1.78294 7.58104 1.18
5 1 0.00000 0.00000 6.94819 0.77
6 0 0.00000 0.00000 5.05312 1.18
7 1 0.00000 1.78294 4.42732 0.77
8 1 -1.54407 -0.89147 4.42732 0.77
9 1 1.54407 -0.89147 4.42732 0.77
10 0 0.00000 1.78294 2.52635 1.18
11 0 -1.54407 -0.89147 2.52635 1.18
12 0 1.54407 -0.89147 2.52635 1.18

11
画图/AB相似/bondA.csv Normal file
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x0,y0,z0,x1,y1,z1
3.08813,0.00000,10.10781,1.54407,0.89147, 9.48201
0.00000,0.00000,10.10781,1.54407,0.89147, 9.48201
1.54407,2.67440,10.10781,1.54407,0.89147, 9.48201
1.54407,0.89147, 9.48201,1.54407,0.89147, 7.58104
1.54407,0.89147, 7.58104,1.54407,2.67440, 6.94819
1.54407,0.89147, 7.58104,3.08813,0.00000, 6.94819
1.54407,0.89147, 7.58104,0.00000,0.00000, 6.94819
1.54407,2.67440, 6.94819,1.54407,2.67440, 5.05312
3.08813,0.00000, 6.94819,3.08813,0.00000, 5.05312
0.00000,0.00000, 6.94819,0.00000,0.00000, 5.05312
1 x0 y0 z0 x1 y1 z1
2 3.08813 0.00000 10.10781 1.54407 0.89147 9.48201
3 0.00000 0.00000 10.10781 1.54407 0.89147 9.48201
4 1.54407 2.67440 10.10781 1.54407 0.89147 9.48201
5 1.54407 0.89147 9.48201 1.54407 0.89147 7.58104
6 1.54407 0.89147 7.58104 1.54407 2.67440 6.94819
7 1.54407 0.89147 7.58104 3.08813 0.00000 6.94819
8 1.54407 0.89147 7.58104 0.00000 0.00000 6.94819
9 1.54407 2.67440 6.94819 1.54407 2.67440 5.05312
10 3.08813 0.00000 6.94819 3.08813 0.00000 5.05312
11 0.00000 0.00000 6.94819 0.00000 0.00000 5.05312

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画图/AB相似/bondB.csv Normal file
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x0,y0,z0,x1,y1,z1
1.54407, 0.89147,7.58104, 0.00000, 0.00000,6.94819
-1.54407, 0.89147,7.58104, 0.00000, 0.00000,6.94819
-0.00000,-1.78294,7.58104, 0.00000, 0.00000,6.94819
0.00000, 0.00000,6.94819, 0.00000, 0.00000,5.05312
0.00000, 0.00000,5.05312, 0.00000, 1.78294,4.42732
0.00000, 0.00000,5.05312,-1.54407,-0.89147,4.42732
0.00000, 0.00000,5.05312, 1.54407,-0.89147,4.42732
0.00000, 1.78294,4.42732, 0.00000, 1.78294,2.52635
-1.54407,-0.89147,4.42732,-1.54407,-0.89147,2.52635
1.54407,-0.89147,4.42732, 1.54407,-0.89147,2.52635
1 x0 y0 z0 x1 y1 z1
2 1.54407 0.89147 7.58104 0.00000 0.00000 6.94819
3 -1.54407 0.89147 7.58104 0.00000 0.00000 6.94819
4 -0.00000 -1.78294 7.58104 0.00000 0.00000 6.94819
5 0.00000 0.00000 6.94819 0.00000 0.00000 5.05312
6 0.00000 0.00000 5.05312 0.00000 1.78294 4.42732
7 0.00000 0.00000 5.05312 -1.54407 -0.89147 4.42732
8 0.00000 0.00000 5.05312 1.54407 -0.89147 4.42732
9 0.00000 1.78294 4.42732 0.00000 1.78294 2.52635
10 -1.54407 -0.89147 4.42732 -1.54407 -0.89147 2.52635
11 1.54407 -0.89147 4.42732 1.54407 -0.89147 2.52635

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画图/AB相似/main.pvsm LFS Normal file

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