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Mn12-CH3_atom3.xsf
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CRYSTAL
PRIMVEC
31.0000000000 0.0000000000 0.0000000000
0.0000000000 31.0000000000 0.0000000000
0.0000000000 0.0000000000 31.0000000000
PRIMCOORD
148 1
Mn 16.7261608028 14.5644489321 14.6429664892
Mn 14.0982339437 15.8364945517 14.3914711686
Mn 14.8220870130 14.4524237206 16.9552556423
Mn 16.1284425028 16.9824485363 16.0801196702
Mn 19.3756200710 13.5883303341 14.8367597929
Mn 19.2918653440 16.9896024268 14.6577141828
Mn 11.4353393781 16.7952855864 14.1607520049
Mn 11.6142683479 13.6926112232 15.6580912383
Mn 13.7747483736 11.8974429901 17.6614710520
Mn 17.0700652226 11.7672120377 16.7615892424
Mn 17.1009847344 19.5830391935 15.5199975133
Mn 13.7334326233 19.2790147785 14.9436098714
O 16.6278484124 15.1822843937 16.4703909115
O 18.5144689060 15.2470352482 14.4835640955
O 17.5713760374 12.9706601612 15.2896248204
O 16.7962622504 13.9902430221 12.7571868681
O 18.8614996626 13.0207579258 12.7250075348
O 20.0035553974 14.2812470923 16.8644004740
O 20.4210871690 16.4733749274 16.4633033815
O 20.2293943959 11.8261322724 15.1503305032
O 20.2329090382 18.7701849367 14.6191169302
O 21.1523855363 14.1938238748 14.1025173199
O 20.8758612525 16.3971248136 13.5693150554
O 18.2060675552 17.4688635464 12.6767261057
O 14.3477227734 16.2309025324 16.2940328334
O 12.3518903988 15.2062803628 14.6595139449
O 13.2292611259 17.5741805002 14.2092965631
O 14.0328328494 15.5667403151 12.4509200876
O 11.9172565277 16.3015475533 12.0164341724
O 10.7708018569 17.1669731531 16.2506607328
O 10.4312437138 15.0343947845 16.9506110042
O 10.5527218225 18.4931813360 13.6042289465
O 10.6590218185 12.0978191135 16.4515438271
O 9.6899324966 15.8601032350 13.8151068964
O 10.0351143765 13.6804066231 14.4063078673
O 12.7353729358 12.4379076741 14.1361609109
O 14.8871973429 14.1304376417 14.7024107840
O 15.4944164825 12.6929092118 17.3041552082
O 13.0502758710 13.5242083989 16.9015089541
O 14.6412816780 14.8684224421 19.0439817292
O 13.7372461517 12.8684110769 19.6409791348
O 13.8580976756 10.6422546159 15.7653147662
O 16.0838989261 10.3002407050 15.4876087741
O 11.9846637640 11.0831430445 18.0068927011
O 18.7601868649 10.7076249347 16.4908189423
O 14.5554142605 10.3059529774 18.6074462167
O 16.8132454953 10.4630128952 18.2973109614
O 18.1553016258 13.0548672011 18.3427510426
O 15.9669696524 16.3349763190 14.2625564406
O 15.4272281107 18.6915766463 15.6518707165
O 17.8218477287 17.7692706888 15.6471123596
O 16.2913973107 17.4456780052 17.9721837855
O 17.1437788212 19.5520499230 17.7782360865
O 16.9157121735 19.7370272307 13.3071529645
O 14.6731350670 20.0172881464 13.0886283535
O 18.8952662604 20.4325839518 15.4324129193
O 11.9887676539 20.0969813097 14.3620256610
O 16.3126060331 21.4215820510 15.6921385150
O 14.0494677142 21.1093151961 15.7261789056
O 12.8820088578 18.6418231181 16.9762974039
C 17.7718643118 13.3492105972 12.1939627397
C 17.4995190293 12.9662322542 10.7505296340
C 20.3793858653 15.4599173555 17.2172701961
C 20.7838619692 15.6388795176 18.6717341800
C 19.8256732433 10.8120830701 15.8102366887
C 20.7158422865 9.5868323038 15.7614750047
C 21.4886663204 15.2816400343 13.5342538047
C 22.7584582933 15.2378038291 12.7069756717
C 13.0320384962 15.8408335788 11.6726736076
C 13.3123181510 15.5682218121 10.2058697626
C 10.3947144157 16.2853436785 17.1129719086
C 9.8725023580 16.8253811311 18.4349869362
C 10.9290325533 19.6960881573 13.7830632631
C 10.0201895402 20.7774327632 13.2348572584
C 9.3951392671 14.6204511118 13.8385945858
C 8.1410851946 14.2222117811 13.0846008580
C 14.1291622151 14.0510307000 19.8841245402
C 13.9642395020 14.5688854674 21.3069149479
C 14.8708004638 10.1027160817 15.1884040646
C 14.5659838578 9.1552189542 14.0378007721
C 10.8815600091 11.2881672859 17.4071649239
C 9.6896965900 10.4864639668 17.8921277530
C 15.7666375280 9.9913905763 18.8431072845
C 15.9819388461 8.9401394894 19.9159797308
C 16.7501633989 18.5649439638 18.4448095165
C 16.8151515454 18.6084641874 19.9594926519
C 15.8444320098 19.9488728432 12.6225241464
C 16.0357267983 20.1313098305 11.1248983600
C 20.0079276965 19.9470941198 15.0433017359
C 21.2038947468 20.8750360899 15.1045074302
C 15.1094481146 21.7917177837 15.8920871656
C 14.9261841665 23.2069289719 16.4040921517
H 17.8249973984 18.3858417435 12.7846698468
H 17.4222147391 16.8941992443 12.8157205781
H 18.4273679301 12.6569201043 10.2576443236
H 17.0344115790 13.8035572882 10.2154224985
H 16.7865926440 12.1288527347 10.7385243728
H 21.3098876017 14.7515942441 19.0450564639
H 19.8692142765 15.7596143884 19.2728427159
H 21.3981377171 16.5377242095 18.7943978325
H 20.6225615846 9.0119080389 16.6892032417
H 20.3726034822 8.9534783825 14.9298859817
H 21.7562757371 9.8728212457 15.5735378357
H 22.5231513104 14.7564252459 11.7464233353
H 23.5114138691 14.6216906139 13.2127949793
H 23.1380274801 16.2472285385 12.5188291377
H 13.0292527953 11.6394533436 14.6559822255
H 13.5668147405 12.9776814965 14.0834939165
H 12.3803641696 15.5937881152 9.6312789839
H 13.8159889413 14.6005480642 10.0892431432
H 13.9932034390 16.3444257335 9.8268888657
H 9.0847946237 17.5688852622 18.2519575347
H 10.6911216823 17.3421141457 18.9577820279
H 9.4933928589 16.0150750086 19.0664083526
H 10.0134330214 21.6414702217 13.9093868384
H 10.4299003398 21.1083689343 12.2690614547
H 9.0080259965 20.3909462387 13.0773773225
H 8.3899540301 14.1686282246 12.0144995812
H 7.3691628576 14.9907507569 13.2099541220
H 7.7803230908 13.2434893416 13.4171089363
H 18.9101342829 13.5263255883 17.8816721821
H 17.4780370149 13.7440383920 18.4804261391
H 13.7410706906 13.7508761207 22.0008021882
H 14.8686775941 15.1058450972 21.6214325701
H 13.1327425956 15.2891427457 21.3231662159
H 13.8601606145 8.3818796323 14.3708260322
H 14.0723378606 9.7176414896 13.2312773440
H 15.4819993745 8.6934363989 13.6540415624
H 9.0632560108 10.1929306036 17.0416531026
H 9.0866038811 11.1346680276 18.5449145647
H 10.0160558749 9.6107135538 18.4624669290
H 15.9122145162 9.4353143726 20.8956822894
H 15.1892700996 8.1843898918 19.8655427930
H 16.9713209343 8.4813171256 19.8187936119
H 11.9843043880 18.2422552321 16.7993849684
H 13.4436821837 17.8404153601 17.0915013700
H 16.7285457427 19.6435067927 20.3088902355
H 16.0374792839 17.9744438137 20.4001200233
H 17.7948671900 18.2179258758 20.2737999076
H 16.7178756206 20.9730758658 10.9404445445
H 16.5127042265 19.2332815075 10.7059411264
H 15.0771859967 20.3081313983 10.6259443933
H 21.8779596469 20.6772672930 14.2633161932
H 21.7523550466 20.6592325968 16.0334541786
H 20.8835606859 21.9219701776 15.1180101668
H 15.1275897327 23.2059316230 17.4854461477
H 15.6545104390 23.8747960254 15.9291720985
H 13.9021499945 23.5539939400 16.2325780778