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Copy pathcdse13-1.xyz
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cdse13-1.xyz
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i = 62, E = -722.2430614844
Cd 11.5935930412 8.2257058837 6.6720971260
Cd 10.2309447030 9.4567368320 10.2022149107
Cd 9.8549351329 6.0524670000 8.7156820596
Se 11.6044094696 10.3731116605 8.2103540404
Se 11.5914664892 5.7337774821 6.8264842015
Se 11.5041436668 7.1018152856 10.6240268019
Se 8.7082037314 10.6684241197 12.2502616671
Cd 7.0978986291 9.1164090330 10.4938076713
Cd 9.4273062458 7.0050419100 12.3206523100
Se 6.8491686495 7.0678617872 12.3185478622
Se 7.9546262468 4.0647935675 9.0507678366
Cd 6.3105151476 6.1561201698 9.5240671111
Cd 9.5485406562 10.6705553865 6.5945367824
Cd 8.4336536704 12.4577673088 10.0558883036
Se 7.9525025081 12.5528614747 7.5053634899
Se 10.2708364824 9.4790456604 4.3651668428
Cd 8.3858341564 7.8126071574 4.3378107678
Cd 8.0146119327 4.1257712293 6.4885759044
Se 7.1647724697 5.4928772080 4.3897738130
Se 7.9465200465 8.0153073606 8.0949273308
Se 5.3406707686 10.6196551455 9.2371023142
Cd 6.4987756221 10.2567780683 6.8131479916
Se 6.0472610036 9.2051686229 4.4026786093
Se 3.6559319467 6.4168377049 7.9836819123
Cd 5.7673677523 7.0956995435 6.2239475966
Cd 3.6236277907 8.7812996028 8.7909462574
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i = 62, E = -722.2430614844
Cd 11.5935930412 8.2257058837 6.6720971260
Cd 10.2309447030 9.4567368320 10.2022149107
Cd 9.8549351329 6.0524670000 8.7156820596
Se 11.6044094696 10.3731116605 8.2103540404
Se 11.5914664892 5.7337774821 6.8264842015
Se 11.5041436668 7.1018152856 10.6240268019
Se 8.7082037314 10.6684241197 12.2502616671
Cd 7.0978986291 9.1164090330 10.4938076713
Cd 9.4273062458 7.0050419100 12.3206523100
Se 6.8491686495 7.0678617872 12.3185478622
Se 7.9546262468 4.0647935675 9.0507678366
Cd 6.3105151476 6.1561201698 9.5240671111
Cd 9.5485406562 10.6705553865 6.5945367824
Cd 8.4336536704 12.4577673088 10.0558883036
Se 7.9525025081 12.5528614747 7.5053634899
Se 10.2708364824 9.4790456604 4.3651668428
Cd 8.3858341564 7.8126071574 4.3378107678
Cd 8.0146119327 4.1257712293 6.4885759044
Se 7.1647724697 5.4928772080 4.3897738130
Se 7.9465200465 8.0153073606 8.0949273308
Se 5.3406707686 10.6196551455 9.2371023142
Cd 6.4987756221 10.2567780683 6.8131479916
Se 6.0472610036 9.2051686229 4.4026786093
Se 3.6559319467 6.4168377049 7.9836819123
Cd 5.7673677523 7.0956995435 6.2239475966
Cd 3.6236277907 8.7812996028 8.7909462574