openmx_scf_soc_abstacking_243/017/POSCAR.source

Si C  H  Bi Si C  H  Bi
 1.0000000000000000
    16.1864999999999988    0.0000000000000000    0.0000000000000000
    -8.0932499999999994   14.0179200000000002    0.0000000000000000
     0.0000000000000000    0.0000000000000000   50.0000000000000000
 Si  C   H   Bi  Si  C   H   Bi 
  27  27  36  18  27  27  36  18
Cartesian
  0.0690281156446476 -0.0211383361260272 20.2475322586107680
 -0.0223716807909563  3.1328043698455348 20.0005638158581078
  2.6139515262724280  1.6793265872467842 20.1206767549625170
 -2.7900070556586662  4.6193379267080052 20.2187277487782460
 -2.7210971523801737  7.8749188526619811 20.1042755885931399
  0.0389521440157459  6.2868385564647316 20.1582251244994097
 -5.4632906433094757  9.3846809919419023 20.2622495798269426
 -5.3245946890686309 12.4923122701893288 20.0849422300949954
 -2.7488054148925829 10.9682932923596219 20.0885160013747672
  5.4928159813859576  0.0553751160383109 20.1966125626887134
  5.4476368653729548  3.1646049005336558 20.0680947188549723
  8.1698371794098215  1.6130372061689695 20.1918844810493283
  2.6136270996065680  4.6755863423620028 20.1233408095269013
  2.6352191535183476  7.7978675666185238 20.1133682607761948
  5.4654973313232720  6.3652918754247825 20.1020348071364232
 -0.0548559507948194  9.3167536031504223 20.1066075208041077
  0.0347300404821508 12.4407094144879089 20.1270215199306115
  2.7580983809880375 11.0233912474894051 20.1956288213900983
 10.7876322779649154  0.0833264159711179 20.2058717634933949
 10.8865345012900701  3.2545125269151320 20.0011339280550438
 13.4667721742929114  1.6891374096537204 20.2566172182715469
  8.0865453781449084  4.7949098497240978 20.1116908010944861
  8.0504085118536040  7.9158080653907215 20.0433873737313881
 10.6949991203040629  6.3154111030954585 20.1225796992211379
  5.3915424925591813  9.4709108605155556 20.1192341924466511
  5.4913799565932226 12.5736743061412799 20.0316209988895402
  8.1451074711415909 11.0435158142583756 20.1582391496708233
 -1.8900896161404417  3.1187077379394408 19.5533441737915155
  0.9822973087202905  1.6326808638244519 19.5697598456393607
  3.5958870607869637 -0.0223637111030986 19.6229348818801625
 -4.4620535725887027  7.7737283744572370 19.6070278789312518
 -1.8948181013754442  6.2404940961591118 19.6432798494406811
  0.8736026157274408  4.6970400540577169 19.6201397660748498
 -7.2116268329720992 12.5148605618618642 19.6034410422260166
 -4.5939313034766274 10.9155512333034430 19.4893215251212091
 -1.7529603312806592  9.4651788583040535 19.6045197242337288
  3.6796963648165475  3.2239632397616869 19.5066368331656115
  6.3371605252910044  1.4922032427722662 19.5225858589991930
  8.9398430807913414  0.1081282621746065 19.5322026624525300
  0.9707650103606643  7.9242901845736124 19.5107845229179482
  3.5365757131098920  6.3539738662679799 19.5921164609480236
  6.2114265452778978  4.6258345403998531 19.5463754408217163
 -1.8395608700950756 12.4562569167249642 19.4977592914101763
  0.8228952689906835 10.9065285911280689 19.6139950575458819
  3.5557902063285236  9.3296456823637310 19.4692700984095026
  8.9980925921243209  3.1409758702628880 19.5220674515791544
 11.7220981472429102  1.5249766450486184 19.4777422578167254
 14.4820580271011661 -0.0120896480754106 19.6268720881516252
  6.2521159968220266  7.8105227586189701 19.5202813169281022
  8.9190494803820428  6.2818262590401961 19.4981799623258425
 11.7074428745217727  4.6465374170431035 19.5185075537479094
  3.5059281755281502 12.4252219128043482 19.5268532702126798
  6.2592453260990464 10.9418663530360689 19.5310490760005138
  8.9148110737046959  9.3387048350946440 19.6002814050330088
  0.0636379648614651  3.0706532178799257 21.6327360527835921
 -1.8860796491717704  3.0803236370252813 18.4701130273599112
  0.8970717489642772  1.5648990283207105 18.5032076357094084
  3.6129664517621740  0.0496762885378829 18.4489520206719391
 -2.7292959679726247  7.8078557879892871 21.5056820280496268
 -4.5766697457491698  7.7447920980269762 18.5023380474520707
 -1.7113910575244078  6.2727067608401601 18.3722311522128194
  0.9395661328672886  4.8547533825386733 18.4303761230702783
 -5.3134698418744222 12.6012371181874769 21.6279140628490794
 -7.2960395503076096 12.4452966341904094 18.5456400401630042
 -4.3781683726489700 10.9525534462013852 18.3969335098357618
 -1.7841861409262794  9.4349220448405440 18.4623580491510317
  5.3428239995591884  3.0843291139304467 21.5033408656129268
  3.5208462780410192  3.0654271597981708 18.4699559765126153
  6.4081273705667918  1.5230800919462777 18.3722399498523501
  9.0335358736343689  0.0343975649397711 18.3766785023010009
  2.6045921800647349  7.7814106057514953 21.5149289274656645
  0.9356294658114565  7.7611039926180521 18.5086044251389943
  3.7156592497521697  6.1746886923045201 18.5036322976431364
  6.3065791256273247  4.7836272553900123 18.5172777188788515
 -0.0562529098110468 12.4542787309070420 21.5924935175804436
 -1.8454835053041259 12.4227411225957418 18.4203372024352916
  0.9764978195085499 10.9028759019573851 18.4086068997790022
  3.5977577842339943  9.5208600427868717 18.4506649674463183
 10.7612439529026354  3.2443285843967784 21.5830221442035715
  8.8879620199291463  3.1088457629049087 18.3773377559679680
 11.6826698023741269  1.5145787087898399 18.3782962363104652
 14.3991868005420187  0.1537187286992019 18.4837512339324554
  8.0909403669709068  7.7813651562950943 21.5142905689089048
  6.1707748899697012  7.7443489500106830 18.3889558832307962
  9.0759040661318284  6.1641073588281019 18.5341566023699791
 11.7896146607466257  4.6677362558382605 18.5392550064376707
  5.4217936985730670 12.5930524177645538 21.6768396376665109
  3.4447411237345693 12.5795956387548493 18.5499396943808321
  6.2505389454813240 10.8237848524643159 18.5308783110398174
  9.0540502693922669  9.4431591826349486 18.4340841671113793
  0.0520650919563939  0.1106799987780786 22.8291385264217617
  2.5977318897276955  1.5016308644748624 22.8498783848697684
 -2.6845272020383364  4.7731322925707280 22.9932837909284089
 -0.0089650613676358  6.1728060057464127 22.8459020342831423
 -5.3117275689562593  9.3226444515240150 22.9550433191441279
 -2.6802486461317057 11.0075638073407625 22.9821324785547283
  5.3274197397059053  0.0328894692377058 22.9870219808298941
  8.1551681191210328  1.6339101380239365 22.8802683972321894
  2.6425681373105818  4.7515216940686722 22.8367062361544058
  5.3608976190385782  6.3692115112684897 22.9655563852536027
 -0.0147741573091691  9.4338373579415755 22.9574883403117731
  2.7273607597087004 10.9298455546074145 22.8154904853195717
 10.7170151710192147  0.0852309048146470 22.8414912130761074
 13.4327281812148680  1.6936228036407885 22.8986700466233124
  8.0073571108125563  4.7448186614488641 22.9880989073470268
 10.7158380490536871  6.3428796449130855 22.8235188465234344
  5.3149905976928613  9.4662979488179104 22.8497662665177259
  8.0610308184493675 10.9386408197973815 22.8905099641446768
 10.7252703582452558 -0.0711325169757905 29.7715110239889214
 10.8344342494342474  3.0773093166694361 29.9752986963898458
 13.4254746282673434  1.4307236411999973 29.8410373101465964
  8.1389424573140463  4.6847185805040246 29.8734319799477355
  8.1512039134937968  7.7257795070491833 29.8282591575381169
 10.7180246507597836  6.2674343056806370 29.7431486725882408
  5.4080450797786224  9.3950112054225752 29.7618189844096257
  5.3845382190470970 12.4847338612445107 29.9433871745778788
  8.0711539407900581 10.8472236530341224 29.8389524172341503
 -0.0093660862754762 -0.0379989561584971 29.8952494263170649
  0.0129631863933363  3.0900692813726129 30.0001083645561089
  2.6423656807741032  1.6100936015008100 29.7655721030440112
 -2.7837059757787261  4.6518026642060253 29.9174865289081993
 -2.7034513316518982  7.7126679097428683 29.9976405637352421
  0.0528228751571886  6.0959393130328507 29.9111548520198376
 -5.3864377667060817  9.3004508444715412 29.8745071551760439
 -5.4371207019551289 12.4384848342873742 29.8224429722696485
 -2.6290118709246642 10.8084088064319079 29.7996861258438521
  5.4667596982016056 -0.1026954131775176 29.8194039421219976
  5.3378411891763866  3.1573683965769779 29.9228475269764047
  8.0938145078743542  1.4363866626454800 29.8921631873912936
  2.6373480405679048  4.6581990680204548 29.8095360233998328
  2.7695453343705774  7.7068336804678079 29.9786666795007655
  5.3297531900385469  6.1600683492095083 29.8844199114974138
 -0.0226233275429983  9.2896285092121254 29.7282830765562842
 -0.0103394821179770 12.3902569120355412 30.0010330100290901
  2.7140574059068929 10.9156114437926899 29.7350069873554688
  8.9009303332965608  2.9893155792870654 30.5087130226550194
 11.7627887266490170  1.4163654853514498 30.4731636658040763
 14.4913636048414585 -0.0330715719818831 30.4392316988632388
  6.3509370808205068  7.7762739210147798 30.3679534850380648
  9.0515116010945587  6.2743404940881762 30.5116173579298042
 11.7512744168601273  4.6692413493213891 30.4690089571103506
  3.6829129393398334 12.3316205898701927 30.4622440971462147
  6.3914542188569055 10.8983213285215026 30.5205498388533698
  9.0180095408644654  9.3873902580685975 30.4187938419219677
 -1.9015211704745485  3.1604835112615235 30.4568469977130150
  0.9380071981896015  1.5070137314484173 30.3499227283933202
  3.6959737204732752 -0.1167720704010468 30.3983428343148319
 -4.5681463615500588  7.7541329035358366 30.5369291720781213
 -1.8163996966950604  6.1802577912735801 30.5061516833924209
  0.8836934153166291  4.6219957644282097 30.5088664960109135
 -7.2471602856282873 12.3690789716367586 30.4263761299918940
 -4.4024068261279856 10.8910804655485300 30.4318486573885671
 -1.8520099307148885  9.2186351214584104 30.4524235942438928
  3.6266247311995730  2.9839476614511589 30.3794301251263867
  6.2022282584326529  1.4812080538429775 30.4728443129690483
  9.0382432583493735 -0.1227349653136936 30.5141413879435746
  0.8854306663661966  7.6754994567880876 30.5141878909926128
  3.6045265703212372  6.2806373196296548 30.3896719886680629
  6.2203190242552386  4.6160757763000007 30.3595911639434064
 -1.7169341142171226 12.4902931678531210 30.4327191660640324
  0.8780768722229295 10.8658243444347473 30.3952631832204183
  3.5944596396315602  9.2203517454486974 30.4896216942638709
 10.7069257488284926  3.1009727162684024 28.4022780589911790
  9.0141149231403066  2.9951891884756439 31.6354026388634573
 11.7860133663106819  1.4741929493161126 31.4915833801984917
 14.4781684250374205 -0.0884642598694357 31.5065942482646513
  8.0465504369567427  7.6578648874060402 28.4441187484815501
  6.2231132329408254  7.8021393052263264 31.4983598529631266
  8.9379872615134435  6.1464021292431905 31.6414734950777294
 11.7439414459390026  4.6277824172773823 31.6050910951594943
  5.4039772082028321 12.4003864531354981 28.4237365331379230
  3.5645578537138713 12.5146866494370581 31.4915710817230945
  6.3455453026575626 10.8062331933746023 31.5103923307610323
  8.9676734813869512  9.4273706346495256 31.5698472901964067
 -0.0933191440560739  3.0189040479038249 28.4432191095620972
 -1.7765071962862129  2.9889604982164140 31.4533884578466925
  1.0082187749559461  1.5094156391797555 31.5845688507389042
  3.5685976698167376  0.0813750495814116 31.4615770534091723
 -2.6963333175694122  7.6697889463423516 28.3586651045817710
 -4.6338348309912067  7.7285772371087020 31.5446522267718308
 -1.7788167664310761  6.0944261662923074 31.5340198413246000
  0.8458153881990419  4.6358713402154788 31.4864395814491900
 -5.3331323697201132 12.4045273275126178 28.3741306064767826
 -7.1970818870389088 12.3760529995662463 31.6443862738508201
 -4.3805899815009619 10.8526827089888602 31.5373203689746262
 -1.7041704392684744  9.4096940635883985 31.5199413122507757
  5.4724310383601065  3.1346044856455424 28.4530001597092550
  3.6176737071746476  3.0442220863380358 31.5444009598653636
  6.2441484927100577  1.5189958443649865 31.4918942395793415
  8.9711977151562294 -0.0001150817547532 31.5869011868193930
  2.7425704056968958  7.7482240331165073 28.3318213616279095
  0.8808107457656217  7.8217266402217449 31.4832099185394334
  3.7221955585389130  6.1674726173996115 31.5291197166117847
  6.4048742400282803  4.7148328107374891 31.5652767259995493
  0.0367458909183064 12.5161191006145813 28.3783089709964216
 -1.8899158054281280 12.3373272927911266 31.6215432531118950
  0.9071551607078563 10.7978992945203807 31.5430372926132314
  3.5510074414376653  9.2816864607320682 31.6157689342064607
 10.7222087329293245 -0.0535183395503407 27.1262923411998820
 13.4839736401061714  1.4910960448180131 27.1623756405077330
  8.0064164680883767  4.5880021412609073 27.0715631958084835
 10.8634016565396969  6.1434413068991409 27.1690353962751203
  5.4891176190994377  9.3760017065578829 27.0287128325174990
  8.0558407137841943 10.8702342844088218 27.1652069812107868
  0.0615835078794018 -0.1355315404186040 27.0233545234481731
  2.7554693792609863  1.5288433880264620 27.1040961465150545
 -2.7836918062050753  4.6627032366596568 27.0566748547008302
  0.0992058643032018  6.2786153487332870 27.0827437216155253
 -5.4043666503784005  9.2331988157508587 26.9938376749734488
 -2.6698071250483322 10.7890953517647450 27.1853207631892531
  5.3915501426201295  0.0416924145995085 27.1347155191565363
  8.0689921059909970  1.4557747894737456 27.1359977028931176
  2.7864848377827616  4.6793534981891911 27.1014558982617650
  5.4103072128972904  6.1595709381190087 27.1585405199489607
 -0.0966798591383957  9.2280730812993248 27.0900149760933679
  2.7000131850500013 10.9360471779066888 27.1253457276651524