openmx_scf_soc_abstacking_243/095/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
  0.0404930077376550  0.0699224837074920 20.3530324760977237
  0.0408286457890547  3.1943685588249662 20.3496599787406005
  2.7166444567178822  1.5058879078270118 20.3150993512933979
 -2.6656890775319324  4.7392058702742323 20.4160943180141103
 -2.8011812467040929  7.7612063944086298 20.2879448351368517
 -0.0731931593659496  6.3329273372555592 20.4233457348814689
 -5.4581159415940288  9.3517722674686468 20.4195596376860884
 -5.3382018139157532 12.4259363672589487 20.2551561267682416
 -2.6709303418674715 10.9097275426637239 20.4318290647504597
  5.4399007602550515  0.0336258303637545 20.3875872286142901
  5.3187777001266232  3.1923956119922536 20.2155809168984071
  8.0546209934493032  1.6488829098255335 20.3374214875234927
  2.6772030065129777  4.7170138153821037 20.3630476971070706
  2.6578591482671623  7.8121059306457923 20.2815750075691028
  5.3924088149244875  6.2373494975749386 20.4245075852968228
 -0.0615474693635816  9.3881581961998979 20.3847117027818499
 -0.0501239394539542 12.5015480614973828 20.1873765098397939
  2.7242730884837911 10.8388997649339807 20.3949363735757743
 10.7858382671746575  0.0375402540288444 20.2609205185141050
 10.8152126738105228  3.2209319018790561 20.2986983664424905
 13.3807697529785035  1.6521394457886396 20.4574542069327201
  8.1658801683938194  4.6746909440992361 20.2826284461297277
  8.1275054043903552  7.7275581321778031 20.2813745813313062
 10.7041746743879660  6.3190719420204360 20.4513821156775819
  5.3178046136849089  9.2971501543249317 20.4138379197185742
  5.4458055471968985 12.4447620104407619 20.1919982419728044
  8.1163457322141817 10.9973989845732607 20.2804011082387596
 -1.8610961586341888  3.1097258741084808 19.6886990037418741
  0.8015194062471263  1.5722709115373388 19.8073131450906708
  3.5800022844178843  0.1199300068203628 19.7291820638412645
 -4.4713452175990760  7.7863539152213388 19.7967774483771954
 -1.8540506384041826  6.2667427485618870 19.7745645872055142
  0.8033654482364951  4.6152279015537401 19.6434388826688924
 -7.2564827873990474 12.4736652353013540 19.8187641050695653
 -4.4512867713504525 10.8193439986038822 19.7483485409417057
 -1.7600960557066399  9.4368376206157087 19.6825936068603937
  3.4792852215134937  3.2075724295881418 19.6645669708085968
  6.3390878232332684  1.5604506710333912 19.7837832189074518
  8.9575058983237916  0.0870072370355791 19.6390107888192418
  0.9036997274953504  7.7699862939491089 19.7472992637584817
  3.5426101151155929  6.1875657803153343 19.7194945042444836
  6.2778808703656725  4.6083528592711884 19.6808463756053342
 -1.8856590333591490 12.4294425313127732 19.6420585380051520
  0.9772515870678784 10.8668337966856736 19.6606963895396589
  3.5690161775768594  9.3952043533653331 19.8224684856479705
  8.9132646405330576  3.0404131845381381 19.8013984606263449
 11.5979231717068973  1.6721739500172317 19.7640256331646000
 14.3620319899554509 -0.0145068242479683 19.6451622350327852
  6.2241217747316586  7.7988022941923214 19.7941527352368283
  8.8790808876582599  6.3415582808447217 19.8305819624499868
 11.6245592343873696  4.6286035835535708 19.7791574213362011
  3.5199175779115750 12.3869846681858711 19.8131932302234191
  6.3023497859519946 10.8567165385845783 19.8080240995968140
  8.8877688143007294  9.4507839428866482 19.6728042501605422
  0.0448938718045112  3.0397452428508607 21.8042570800421593
 -1.8382692697879177  3.1509613748765166 18.5785354375484495
  0.8414562127426126  1.5799171067590319 18.5451450736952914
  3.5843552294418322  0.1698959291358766 18.6011521795719510
 -2.8159902818559086  7.7409836153249172 21.7905275888672705
 -4.6595872637273272  7.8417622190845613 18.7115383492319225
 -1.7691610005960585  6.2755374977681644 18.6926531638162423
  0.8364323287884339  4.7163545565009510 18.6419999765340236
 -5.4004426454835617 12.4332376560636497 21.7232465275680724
 -7.2763152963851363 12.4812902552260834 18.6127972285660199
 -4.4206366693320991 10.9687755567021838 18.5524768314137134
 -1.8546200069635224  9.4506467871031674 18.7168778441377732
  5.3912330931577657  3.1495597935835900 21.7285197134509040
  3.4163260013954502  3.0789381503411173 18.5794781056978948
  6.3474857812873751  1.5189400613688324 18.6662777304261454
  9.0193291928875645  0.1244016713619903 18.6934003868145204
  2.6383300703022137  7.7507908873345084 21.7032408902337970
  0.8730356688706227  7.8278074981470978 18.5366046509843265
  3.6528222377194965  6.2039751576501212 18.6261710466356618
  6.2700311095799268  4.7961625472221145 18.5687805389561404
 -0.0294318864277360 12.4873973909704947 21.7494221310083446
 -1.8380890115658031 12.4708904539361818 18.6849193877004538
  0.9797371230470553 10.8088502281144034 18.6972227752775915
  3.6201687656601238  9.3784584605375247 18.7138460880835034
 10.8591181240954011  3.1785878067053539 21.7610971279144891
  8.9953439658656666  3.1983335127251635 18.6697700881130544
 11.6655736207972076  1.4690826546073408 18.6785405079791325
 14.4539184885204204  0.1466162182217468 18.5654368836038017
  8.0479169507803263  7.7658946571464496 21.7308111715069607
  6.2153191311628921  7.7928346567620448 18.6029400569467782
  9.0639338737657784  6.2333456109716918 18.7266826739829035
 11.7140207824950853  4.8251034748342709 18.5558480179452623
  5.2857707755040062 12.3943329184922071 21.7765919368407452
  3.5814369967839168 12.3888258259621296 18.5580180658728899
  6.3770215508551269 10.8507995477837262 18.6794494203358035
  9.0821069514835333  9.4134109796548380 18.7246010647963494
  0.0017178410718756  0.0995747348839683 23.1281721752428524
  2.6401117044515625  1.6475691895619224 23.1877206702095258
 -2.7996476885908792  4.7495242965732860 23.0267827616445935
 -0.0555170703522345  6.2997906590628290 23.0746704335073325
 -5.4458734102538839  9.3015782068903921 23.0729093494347772
 -2.7125112764588457 10.9589927849520024 23.0831907095678126
  5.4326943471073461  0.0820319260570495 23.0977252061798097
  8.0656107137317079  1.6382674819634215 23.1956721011867018
  2.6662681691958463  4.7349659818289371 23.1707748172982448
  5.4354869657178835  6.2710593206206058 23.1927612859582126
 -0.1152605989227955  9.3945958423066234 23.0798234367740207
  2.7203887834162588 10.9478440955011198 23.0658729773075457
 10.7479333882325481 -0.0356622806127635 23.1595864712027968
 13.5340856669631862  1.5361148484868425 23.1202692631195070
  8.0020641650547955  4.7769112754451761 22.9960097505293142
 10.8193923660278557  6.2451057267444288 23.1946490976152830
  5.3078599696466853  9.2856659993797539 23.0455381380845061
  8.0461111565289141 10.8984458498201597 23.1044476349553456
 10.8188951589720048  3.1762651706950846 29.7287131306971659
 10.7808784571385221  6.2021969849103629 29.7871419346193207
 -2.6677666875898627  4.6654291722752559 29.6097558931778302
  8.1467944700053092  7.8581536835621577 29.5917842721142001
  8.1857820868660962 10.9249030647520087 29.6820815894464509
 -5.3862469079215129  9.3222995922440877 29.6245495382176607
  5.3997397326620593 12.3868730142933003 29.5679013656767182
 13.5836115806707678  1.5476707826394367 29.7631578013585880
 -0.0703858124634500  0.0184609912137276 29.6682361420826091
  0.0542310041953065  3.0436121103998142 29.7042477103098008
 -0.0233735367225808  6.1248054086764112 29.7716549500797889
  2.7948750703716070  4.6703608951389777 29.6741167080727237
 -2.6469322244387796  7.7758493250768010 29.7159781471912403
 -2.5825893149968069 10.9262676383155917 29.8167820049889549
  0.0953501421827549  9.2563637118665127 29.6845936081605615
 -5.3500319699268166 12.4727254494997819 29.7064706124345861
  2.8075340599716991  1.5518735074580170 29.7874051138864573
  5.5115973926115203 -0.0230773358539945 29.7089511579209145
  5.3605434227033157  3.0278276507068735 29.6495589140723190
  5.3407896667508243  6.1673977445237762 29.7046008773412851
  8.1888077604968252  4.7169950754687777 29.5637670362665759
  2.6611248955596762  7.7587916779405255 29.6887064168360304
  2.8186293471141051 10.8739274255221439 29.6523263076287726
  5.4845639407649358  9.2715468915014085 29.6070464548650882
  0.0121868306940818 12.4435111778941145 29.5689008586857227
  8.1616861305380120  1.4624470027824610 29.7813162084441920
 10.8624749488607470  0.0027898726546047 29.5886452307810899
  9.0386240069617063  6.1368609257747275 30.2004778048478499
 11.8094701523346384  4.6768991899879158 30.2818319645817091
 -1.7006943682231848  3.1881607127893581 30.2740062393335485
  6.2505742842240366 10.8651442844519526 30.2451239710198969
  8.9428879832924579  9.2618122506352485 30.2556177039294489
 -4.4074500209791525  7.8590788907294966 30.3624441049671958
 11.6326559018529245  1.4826108284562471 30.2206478986152334
 14.3264694314068279 -0.1053262375636342 30.2545712952193178
 -7.0871914805501355 12.4132300088986760 30.2020184373984613
 -1.7584930021175436  6.1560027496435250 30.3220620121763353
  0.9508087069957843  4.6783052238290201 30.2935132782431786
  3.6918418894920459  3.0948243542393716 30.2791897203540792
 -4.4189329090064060 10.9506654702784019 30.2559362377826311
 -1.7209364027978451  9.3403505458612166 30.1653909392956905
  0.9208516107085675  7.7432748123654136 30.2818788364347817
  0.9629978094747742  1.4435768231005186 30.2455379415249901
  3.7056025976166338 -0.0393533443517977 30.3301923040499766
 -1.7655962665681852 12.5028065082532596 30.2215749572125461
  3.5230589294444838  6.2518132944320808 30.2349925457358886
  6.2563843150165601  4.7105273894086697 30.2542424215281294
  9.0348181254002693  3.0890021376053238 30.2562818291800362
  0.8305788709671185 10.8902081460317728 30.3519291021864035
  3.7004180441874448  9.3364610293575083 30.2637965125691260
  6.3395028042543426  7.7830809821330185 30.3191232289665216
  6.3408610727027712  1.5735066084806482 30.3588509669788174
  9.1086685970890038  0.0152817369431608 30.2128674405294966
  3.5522023601230188 12.4865289179341143 30.2480724024500240
 10.8857618979053168  6.1098958951529285 28.3105465916129084
  8.9817154397906815  6.1225478950157877 31.3513680701663766
 11.7128807850682044  4.6291813339156507 31.2824788000533793
 -1.6721951453131598  3.2245690000783287 31.4529639110548693
  8.0735549486322036 10.7976987277380818 28.2733485544112710
  6.2510641597551873 10.8350072682720882 31.4190849462233537
  9.0632037213581338  9.2407882568209221 31.2794811636879402
 -4.4283236887996553  7.7163771203889109 31.3421083524235655
 13.4466219536538851  1.5992440763165572 28.1586935955743556
 11.7564558598025695  1.6163449939831080 31.3037976703692848
 14.4236514393698130 -0.1093407886933759 31.4330494868426129
 -7.2128061361537492 12.5605557992172834 31.4111721782741213
  0.0399848253370357  6.2035022744527151 28.2776319105073384
 -1.8627966993375082  6.2162567043830910 31.2831438882153918
  1.0169562807273493  4.6026068756196112 31.3731165735020241
  3.5890825962710844  3.1462328722672241 31.3109013724100258
 -2.5838591327188931 10.9638970164646814 28.3266408990798340
 -4.5127473765806938 10.8301767959510524 31.4329233332895868
 -1.8200025822622470  9.3251429296074910 31.3252551793256266
  1.0358203973405875  7.7641905706993368 31.3512891561295710
  2.7165205464734186  1.5548672960520851 28.2210176753178601
  0.7783587245889994  1.4774979966862380 31.3907278080217687
  3.5894298290913196  0.0157206236135648 31.3218140888391012
 -1.6692703258960651 12.4641920142517648 31.2992931262612473
  5.4045106842614237  6.2240886443067698 28.1944872208385640
  3.5073440650728305  6.1621687531001834 31.2900694482813577
  6.3168109856165673  4.6087227720451391 31.4511745323478280
  9.1497676732140736  3.1423358297945017 31.3550137898105206
  2.7621987164047850 10.9249921495291176 28.1498417579638911
  0.8089056569896914 10.8150395819108844 31.3735666676298131
  3.7233694635147714  9.1787435160211679 31.3051756296608552
  6.3479601735733198  7.8137398424576103 31.4111094027305420
  8.1997745323924232  1.5924491462643273 28.2395724632419132
  6.3110235168068911  1.5713938413201491 31.2975015507453982
  8.9560229955833854 -0.0787633166103407 31.2820870157455460
  3.6385970964260763 12.4370925039673654 31.3415275830706150
 10.8379246601464523  3.0159338999036205 26.8709777838528652
 -2.6691391902884152  4.6605707254112874 27.0054328090375932
  8.1638367220694938  7.8478953174215418 26.8891388748162470
 -5.3227778432825232  9.3510785254876563 26.9180073693046289
  5.4349651480741290 12.5032819281655545 26.9740650815545351
  0.0743337584709573  0.0374092300928869 26.8804244985258087
  0.0776809314337930  3.0916192774655995 26.9091361474910578
  2.6379997421974459  4.6785388620479820 26.8544812922341407
 -2.6657132068321552  7.6767887482096384 26.8615700632289958
 -0.0139509330663592  9.2503481709431163 27.0120152800663575
 -5.4527843287978612 12.3710694011164950 26.9656684555864246
  5.4611396281868956  0.0655773684797442 26.8988418785468646
  5.4901276427575798  3.1825672427947240 26.9535453091960626
  8.0979221633149550  4.6983357328592756 26.9202689140950682
  2.6844808959882922  7.8177182395166920 26.9212268581683922
  5.4038102489654625  9.3847682141708759 26.8246174332132021
  0.0542941559281518 12.3995420823413358 26.8363686217936070
 10.7246999575146020  0.0706400962103310 26.8748371535230426