openmx_scf_soc_abstacking_243/050/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
 -0.0489130690422005 -0.1169554340648742 20.2472294614399537
  0.0470083882138249  3.0120353350478486 20.0545878226164334
  2.6046464549159269  1.4271102670122506 20.1225632573478528
 -2.7364117831441952  4.6222062475317438 20.1530422831371965
 -2.6725693034598104  7.7760148076704079 20.1528137863657868
 -0.1058595336044167  6.0976506815731462 20.2978639715893756
 -5.4869685571805178  9.3656799600620282 20.1142848631628475
 -5.3626587513996373 12.3562241189451996 20.1252543884850361
 -2.6814982246556665 10.7914252637157908 20.1453486028785100
  5.3450938714355365 -0.0013838833762842 20.1753943159212845
  5.4022854312743211  3.0076242713307759 20.1904656833532457
  8.1415332455845899  1.5744947747644915 20.2917164059949506
  2.6486418190553538  4.6561513302381243 20.1512367989311763
  2.6333573192979487  7.8163437410305292 20.0620771800281119
  5.3781297616860098  6.2028198853342502 20.1093948572501873
  0.0483413063532182  9.2506945451464162 20.2667190751700765
 -0.0705697431828755 12.5074865652202902 20.2166141503865049
  2.6273497622799722 10.8614211196373578 20.2211592891575940
 10.7289701217643358  0.0510336905653312 20.1188554219637723
 10.6910902196320574  3.0722595600959202 20.0547958435624238
 13.4007317718745345  1.5524516234274737 20.2212459741767603
  7.9744078715473208  4.5420416154031980 20.2266148295550430
  8.0538912500864992  7.7608491252925589 20.0717760632957081
 10.7733424076861457  6.1662484090060481 20.1097242347553014
  5.3438534800083275  9.2110062014635066 20.2602744935164729
  5.3356821879769507 12.3998958679437266 20.1305979368602586
  8.0732837782897988 10.7976595821724537 20.1983145200596148
 -1.9096583805693808  3.0234783537312446 19.4904496980533857
  0.8827712111052406  1.5565946913600763 19.6691080060181029
  3.5379323251130006  0.0345388249809733 19.4991192000129949
 -4.4732927600446741  7.8279970811610422 19.6845293554830896
 -1.8681133459154069  6.2760556999765829 19.5842978785428627
  0.9080212856232568  4.7065886998235298 19.6363217243975612
 -7.2925493816747862 12.4866984031052137 19.6751283821891647
 -4.5547847454375923 10.8797428890948087 19.5832333623738322
 -1.9200889094041160  9.2189392323941917 19.5877505430820520
  3.5611573756606405  3.0589115256374710 19.5110931381815860
  6.2665592397203094  1.5151618908502833 19.5186107845700967
  8.9684513125459997 -0.0873854076517966 19.5913026320485990
  0.8236564116044196  7.7835027651821145 19.6386097160724020
  3.5094564809882800  6.1671968614717221 19.6570869264505035
  6.2756791333204758  4.6287020782295185 19.5422810078275830
 -1.7659705710517775 12.4320581849861149 19.5715912652403219
  0.7796572789834554 10.8739486034139556 19.5120804599926174
  3.5001381650195831  9.2399885733898852 19.6720749803052186
  8.8826521232847160  3.1173211774507759 19.6295023567620746
 11.5884668950827585  1.5055087378469341 19.6061849388052032
 14.4528086941640641  0.0176746081539599 19.6568367723154402
  6.2177566247235072  7.6974783053222708 19.6573883292167757
  8.8685676377579856  6.0883806507777027 19.5328263469601850
 11.5702991891145803  4.7313670583559473 19.5334158684933712
  3.6345118973710169 12.3909171969242546 19.5281227962942623
  6.2898380610909088 10.8094357136064989 19.6586511493527674
  9.0290252019909509  9.2529141478522092 19.4975075014366261
 -0.0114117572010798  3.1076678814987972 21.6119288847565763
 -1.9521484139420917  3.0200950676798666 18.4053665333914083
  0.9606139308228863  1.3981627027127190 18.5318815052503787
  3.5397936755769837 -0.0342973026392722 18.3800804775012736
 -2.6911987774936548  7.7700973183488671 21.7165697886440690
 -4.6330721392667780  7.6524726909691436 18.4449503339279879
 -1.8448097514135924  6.1804232391509260 18.5329597726834407
  0.9610405874727976  4.6842937552626127 18.4576263445743542
 -5.3699752746653999 12.3599753249345774 21.6121625809291480
 -7.2796179146907978 12.4210102402687017 18.5282593188725357
 -4.4874599715861017 10.8245982103289808 18.5031312472809333
 -1.7757936882547189  9.4408231687647515 18.5246850775767165
  5.2597949544854581  2.9839600154741936 21.6696619332925806
  3.4923268139945791  3.0057628274296713 18.4731497248064933
  6.3721041319532530  1.5424059357868203 18.5094752378068961
  8.9360309930194308 -0.0802249677749422 18.4806339172599721
  2.6969812140478457  7.7304876876815252 21.6046101490868239
  0.7062280081205314  7.8310625008944621 18.3929259016421653
  3.5434866189572376  6.2313355322237163 18.4106510844846127
  6.2573709402381930  4.6759297391691632 18.3983964153639725
 -0.1248260109404744 12.4594701972954933 21.6622838435960148
 -1.9017445874389867 12.5087616481305499 18.5206051260797580
  0.9622060842047558 10.8743884070176833 18.5544516682262000
  3.5449982627422032  9.2664220241896018 18.4207320687217795
 10.8336745020041505  3.1434706772578851 21.6144191310567813
  8.8539826395619592  3.0000493563849844 18.5188198521873026
 11.6166905934763331  1.4298436670588228 18.5631662721849118
 14.3609322140550972  0.0492268405102384 18.5113277572901218
  7.9950553329118090  7.6770568314176231 21.6209885629691279
  6.1819834264240354  7.7668307761726858 18.5567038485472153
  8.9655714828584383  6.2066803542565534 18.5022767908836521
 11.6156853217981428  4.6388983931161922 18.3798716285049544
  5.2651898464272806 12.4941276697619301 21.6589478529312665
  3.5667853954247839 12.4997236469724555 18.5307481813042720
  6.2722009901276348 10.8392326114514095 18.4942731257322706
  8.9705298981994570  9.4069502439234949 18.5005680697810071
 -0.0597354521047931  0.0538385739768782 22.9855164655850857
  2.5770532972839790  1.4860459803696779 22.9443782902014775
 -2.6945125735766582  4.5534142475842572 22.9367575254214380
  0.0230622339973063  6.2312722494676498 22.9901427891575914
 -5.4925672292755623  9.2443920101535042 23.0256289888845025
 -2.7202369333079477 10.7931430641515878 22.8803596889696728
  5.3734102969103086 -0.0831363575990420 23.0399141190774230
  8.0485254434238698  1.4781865292708576 22.9303493774865750
  2.5826238505485115  4.5561263919257655 22.8910653079007176
  5.2618867332770147  6.1887456264095002 23.0079515096893736
 -0.0035394694939456  9.3581608722779563 22.8888644366285199
  2.6079016794904692 10.7893435260621207 22.8807904227494809
 10.8356910836997535 -0.0813164552397950 22.9565001892243252
 13.5425841679476715  1.4435287159104297 22.9635848958876316
  8.0777128946960293  4.5649985868821101 23.0358451664609731
 10.6708386646423996  6.2447152718981291 22.9934942577559944
  5.3587302526516751  9.3599156298760935 22.8985618504810020
  8.1040424766791439 10.8720523162084710 22.8859138644590985
 -5.3005731515011654  9.3138451212540438 29.8570348232325991
 -5.2992112794696782 12.5981340408357543 29.8804493399021993
 -2.7565895386398345 11.0005957628127629 29.8077501608250870
  0.0550282984833816 -0.0431785494156406 29.8712941392485085
  0.0747099313435789  3.1085952252849629 29.9426415257339791
  2.6590811711145199  1.6045593925525989 29.7393985056124386
 -2.7471892608528825  4.6192724671235847 29.8254390620299539
 -2.6569163149383725  7.8998232563217439 29.8048196750287353
 -0.0564994505843587  6.3686626498811645 29.7289635253645272
  0.0545809159986401  9.4755629821575944 29.8694233431033886
  0.0169031304998953 12.4781139239194303 29.9418208251060065
  2.7389045478911447 10.8576314232731139 29.8921888452236431
  5.4339311491393598  0.0933184168165123 29.7005364887700445
  5.3496171380973525  3.2375428264739901 29.8027862399701675
  8.2014167731943175  1.5214291839129050 29.8490555148583638
  2.8128285507857300  4.7264971118216010 29.8456338074107101
  2.7267193312712603  7.7537765445247224 29.8680258358565673
  5.3595311554648051  6.3540540646935755 29.8295279065977752
  5.4563890855795387  9.4773441036100294 29.8004682491177526
  5.5107292396800842 12.6017250703335701 29.7814764453108047
  8.1674433703481082 10.9894822027734520 29.7980727802103900
 10.8937843353944732  0.1120707489117753 29.8368002338078604
 10.7737577715381381  3.1856027223604548 29.8703716870943339
 13.5264908172858700  1.5107916172522553 29.8798546489676546
  8.0433512729387289  4.7081206943161762 29.7217847613619348
  8.0404509089343534  7.7399034259120327 29.8405698324284359
 10.7381100017940518  6.1932512054062849 29.7423332893901353
 -7.1297058016900570 12.4045522884983530 30.4461558203931730
 -4.4955922538694608 10.8724521800538199 30.3656781369727504
 -1.7410765110384399  9.4431148434323742 30.3908116005629552
 -1.7474248138861987  3.2255522928471483 30.3891647514226193
  0.8978111678639481  1.6589886406952630 30.3630936485507910
  3.6063760226335564  0.0157492098736323 30.4050702696570276
 -4.4685662220936715  7.8430980124904801 30.4076163197628553
 -1.7953495025541060  6.3023429101825457 30.3944230193094604
  0.8651149147110677  4.7986262427779938 30.3154984494590458
 -1.8671458077026313 12.5569974599563832 30.4705482106114403
  0.9464766059979532 10.9457135521808109 30.4671889318666871
  3.7098163130710899  9.4097124350177115 30.4462232987347079
  3.5336492644310149  3.0753834619184999 30.3575065557930124
  6.4194550349224713  1.6791511415660234 30.3697302509035900
  9.0992656289842717  0.0283978497708037 30.3391453778239892
  0.9465737070069933  7.8830959563580372 30.4074696278565177
  3.6548372789282557  6.3423526831126660 30.3899023778085393
  6.2843209017682691  4.7879451624861247 30.5109085554477169
  3.5460238414486032 12.4383901988016046 30.4968557188492539
  6.4161493307865340 10.9742454749319851 30.4681046864239313
  9.1233184840323460  9.4954403554354609 30.3680078617994909
  9.1201090138572596  3.0751045619554840 30.4468883984882872
 11.7253703962101135  1.6459293908613668 30.3510380077997759
 14.5301650627812169  0.0427250632009143 30.4231025517858278
  6.4216264879214311  7.8610425377349840 30.3749750803073510
  9.0258919688143990  6.2333335429481576 30.4146679984107884
 11.6690230245542796  4.8003562381938032 30.3827480400799814
 -5.2923144044019841 12.4814419642236611 28.3070123090586883
 -7.2844404130814118 12.4624469528325950 31.5532496152058890
 -4.3971816058120048 10.8953475614992268 31.4720617774776663
 -1.7858821815759751  9.3991209047184192 31.5959137499236711
  0.0188409616889649  3.1017965739494184 28.3046340604116935
 -1.8101535654679253  3.0603639315607403 31.4652936538396268
  0.9952430464905566  1.4572905084138748 31.5517057880329510
  3.7206721383714840  0.0688733055228725 31.5536539787672652
 -2.6379706293092053  7.7967196505339995 28.4709140147517417
 -4.4433132502094486  7.8866175132157297 31.5896593655591218
 -1.6414371437313695  6.2391466193522405 31.5942013301444256
  0.9858129008150255  4.8497872256853638 31.6063129819372897
  0.1331831127701946 12.5314859383112402 28.3475741373005548
 -1.7327718315791385 12.4468117553689357 31.5627167271623854
  1.0397023491432256 10.8580741228915052 31.5422715650344507
  3.6821471047521439  9.4414248311976898 31.5566905192920366
  5.4877693195824309  3.2053432411357101 28.4027955421143119
  3.6698250169861737  3.1552972684562173 31.4319958085113100
  6.3990697511610994  1.4994391091627193 31.5410354780679043
  8.9825274301268276  0.1821157503877005 31.6120975018847723
  2.7405689842171861  7.8666619559547364 28.3057649447846948
  0.9680002934021157  7.7872854637089208 31.4497029655710456
  3.5812453856031716  6.3201991973866463 31.5619366673735442
  6.2722485935989809  4.6786820088936096 31.5988473056810015
  5.3472059956933240 12.4225913693263283 28.3172705079605116
  3.6755122671919063 12.4939272480923229 31.4310233999252020
  6.3757626591477807 10.9870488318521478 31.5365015182697448
  9.1600496462373950  9.4264196903841473 31.4982966446886579
 10.7334118201182385  3.0653606873603430 28.3364143303771847
  8.9718526652745059  3.1825462361048067 31.5528218474868360
 11.8294020079742328  1.5755966236757268 31.4414649265343762
 14.4769929645372102  0.0469416431304777 31.4671018553606920
  8.2043938434212471  7.7714016052990447 28.3439351698378417
  6.3286983677130459  7.8794236772181616 31.5102793702352884
  9.0883024374019090  6.2031056633477233 31.4868108878449640
 11.7438544805181184  4.7828521289840449 31.4533956168066169
 -5.4034360346284380  9.3896266745163910 27.0111452022596659
 -2.6481652008971399 10.9063165039708885 26.9890376877001792
 -0.0278888750279959  0.0587887533184756 26.9952219662430366
  2.8064521525557220  1.6251032708938031 27.1090476035610202
 -2.6501792616891304  4.7456604436376093 27.0730270442369374
  0.1125312321440167  6.2127849483711408 27.0983797401439261
  0.1331605338415370  9.3413291817083195 27.0065358419770902
  2.8123956469174884 10.8774889714945200 27.1523439529152277
  5.5150299189773619  0.0680878116605018 27.0187051218126868
  8.0542752623757821  1.6710851756599874 27.1554835120990603
  2.6571448148345107  4.7864053725889608 27.0522902955014679
  5.4180085541576624  6.2006052767965683 26.9706594501514445
  5.3551705385527697  9.3029178983904579 27.0630882533711699
  8.1318252082584301 11.0275080800573431 26.9617891889161285
 10.8520962980874778  0.0175283162154247 27.1135230216090690
 13.5651694740128690  1.6952824473893457 27.0528050119483829
  8.2280648404396910  4.6946508205388966 27.1541318117928761
 10.7437412422894738  6.2957976821691446 27.1282443318859343