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Copy pathMn12-H_22_atom12.xsf
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Mn12-H_22_atom12.xsf
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CRYSTAL
PRIMVEC
25.0000000000 0.0000000000 0.0000000000
0.0000000000 25.0000000000 0.0000000000
0.0000000000 0.0000000000 25.0000000000
PRIMCOORD
100 1
Mn 11.3306509356 13.5970363178 13.3590035034
Mn 13.5785361769 13.5479994917 11.5637200955
Mn 13.4176818402 11.4683108610 13.5305691506
Mn 11.5000112178 11.4136829310 11.3872513713
Mn 9.3491389476 15.6071346121 13.3416908899
Mn 12.3952144430 16.7836243884 12.3321718787
Mn 15.5229634866 15.6270353567 11.5902719709
Mn 16.6737245094 12.6073553885 12.9240395419
Mn 15.4141677429 9.4615071828 13.8090260349
Mn 12.5427772460 8.2273315031 12.4388493470
Mn 9.6102429687 9.3409258683 11.0716842539
Mn 8.0703279762 12.4110009241 12.2165044962
O 13.3000000846 13.3974720495 13.4580297001
O 11.6547020016 13.3765050634 11.4515647170
O 13.4580878892 11.6242974353 11.6208227314
O 11.5034333903 11.6297546732 13.3276578242
O 9.4937333543 13.7158766504 13.1583553240
O 11.3076780528 15.4988873979 13.2518964810
O 13.6146732562 15.4557659552 11.6095719078
O 15.4863987397 13.6957574043 11.8495071108
O 15.3383641607 11.3859240833 13.5876201772
O 13.5240554374 9.5580282227 13.4625480397
O 11.5182555878 9.5168015822 11.4617614807
O 9.6534689365 11.2366429110 11.3063819610
O 17.0750896070 11.4557512807 11.0156713716
O 16.3541648719 13.7630043960 14.8313235961
O 8.1787655394 13.5207537046 10.2585187234
O 8.1677478286 11.2769778390 14.1498990108
O 11.1961735904 13.6335819249 15.3182044373
O 9.6614566099 15.3171325383 15.5783382775
O 13.8292530131 13.5367389353 9.6053558404
O 15.4088440469 15.1820274976 9.3878596490
O 13.3312679117 11.4572371804 15.5055842168
O 14.8848094608 9.8363948837 15.9652607521
O 11.6755590735 11.4044594554 9.4330058912
O 10.2415165317 9.6936526718 8.9101799052
O 9.2738364865 17.5883847397 13.6543165977
O 11.3651652522 18.3435818994 13.1056830478
O 11.1266789789 16.8647297878 10.5543552694
O 9.1529832909 15.8741055456 11.1097471220
O 7.3765611246 15.6799785319 13.5981056420
O 6.4761847608 13.7102935199 12.8639637198
O 13.3855254012 18.2727651812 11.3747866209
O 15.5516795691 17.5680671778 11.1252621650
O 13.7254788116 17.2061280805 14.0800103930
O 15.6796891204 16.0830337687 13.7675315220
O 17.5188058869 15.7292255857 11.4649993425
O 18.2371193836 13.8038590311 12.4807574041
O 18.1291894565 11.5473327942 13.8310258737
O 17.3554419215 9.4413128985 14.3083210169
O 15.9862158770 9.1480875569 11.6783381604
O 14.1472060510 8.0569554864 10.9028984494
O 13.4585732077 6.7096924101 13.4275693477
O 15.4599423402 7.5098405931 14.2027912159
O 11.7472776011 6.6936421032 11.3894570222
O 9.6714350867 7.3676264930 10.6918710249
O 9.1144102581 8.9436178823 13.2370594285
O 11.0049134869 7.9074078954 13.9707883440
O 6.6228332574 10.9956842421 11.4688833057
O 7.7002264674 9.2093976764 10.5344345437
C 10.4465129865 14.4435803958 15.9937454818
C 14.6121699829 14.3233643282 8.9504425797
C 14.0121164135 10.6757930017 16.2737807603
C 11.0640112494 10.5891764896 8.6369564059
C 10.1877032947 18.4579697215 13.5504860939
C 10.0055437663 16.3618844548 10.2914695571
C 6.4253599246 14.8516066994 13.3741475674
C 14.5918686772 18.3951329746 11.0321286212
C 14.8156482602 16.7307944042 14.4657533663
C 18.3873763548 14.9108524511 11.8859581513
C 18.2152663868 10.3696551069 14.2860130933
C 15.2698230470 8.5906556489 10.7682808448
C 14.5659035122 6.6252656278 14.0214779342
C 10.6263690920 6.5474330382 10.8228371660
C 9.8446120642 8.3673334599 14.1147446600
C 6.6807952477 9.9372613673 10.8041881458
H 10.5512766172 14.2966236667 17.0909249381
H 14.5438137580 14.1787543704 7.8506470268
H 13.7609843369 10.8059670722 17.3484906203
H 11.3409657306 10.7543432165 7.5727696189
H 9.9134475823 19.4758537797 13.8959188403
H 9.7114923277 16.3369664030 9.2171120638
H 5.4268831632 15.2319473618 13.6833061353
H 14.8623421639 19.3737072158 10.5857939331
H 15.0861735938 16.8778404870 15.5364718294
H 19.4408289739 15.2105370967 11.7131528181
H 14.8042403500 5.6294547233 14.4472512347
H 10.4541233590 5.5454207488 10.3789316327
H 5.7319713917 9.5445283984 10.3772706113
H 16.4254595862 11.8682740748 10.4169488918
H 16.7331686787 10.5189060561 11.1729310216
H 8.9600643361 13.0870065816 9.8671945474
H 8.4760347853 14.4508233006 10.4884844803
H 8.4308124339 10.3458336351 13.8873859359
H 8.9610173920 11.6542890316 14.5739964163
H 15.4921698324 13.4227274704 15.1375051436
H 16.1668337704 14.7079438897 14.5391554285
H 19.1993557923 10.1110375523 14.7268933423
H 9.3899425424 8.2646035526 15.1268280589
H 15.7173788490 8.5863030555 9.7481642507