openmx_scf_soc_abstacking_243/045/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
  0.0936293569320378  0.0519786877630651 20.3502699665484030
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  2.6059893541228591  1.6343929977558906 20.4084504821018164
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 -0.0494575935556867  6.1606516571474748 20.5102468024222695
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 -5.4606849247827371 12.4186494510107082 20.3966229600343389
 -2.6475688811498226 10.8674599436098909 20.3599501071570046
  5.4519162212537973  0.0262955041774353 20.3789986274795716
  5.3429768276972123  3.1788614072001109 20.3955437992585367
  8.0525088882151081  1.4793174403191471 20.4293866948310523
  2.7191385942575317  4.7280061762443699 20.4310025607570367
  2.7219680055012048  7.8253439140904781 20.3480653811726206
  5.3940650694890042  6.1505569424929325 20.3727895640482437
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  2.7632051140087643 10.9998053402546301 20.3624342959055760
 10.7574487844371642 -0.0855204957729004 20.4752239196164112
 10.7039225918051972  3.1284170612629043 20.3389799343564412
 13.5252037940324996  1.6277032002078407 20.3508453721505624
  8.0406482857150490  4.6366792654737417 20.4641959684863046
  8.1228450452178880  7.6982383161994807 20.4413233874540445
 10.7099616882318980  6.1706123038857790 20.5321771368487411
  5.4238874462250344  9.3707439323044763 20.5031467359727984
  5.4206494203778011 12.3808211854837413 20.3554348310054571
  8.0525220165217917 10.9852961398079483 20.3971027548382473
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  0.9702983577729175  1.5311198975318094 19.8880980983486531
  3.5561964069291001 -0.0393576981249192 19.8153538982794295
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  0.8960867069083911  4.6209326642580644 19.8937213544102711
 -7.1558716952981438 12.4291715584173321 19.8916819641500169
 -4.4756477586539667 10.9216483898565180 19.8270465295435265
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  3.5939851791543767  3.1599339631725307 19.8973995268605215
  6.3829585365757380  1.5460306204204552 19.8247586080170457
  9.0104356353586184 -0.0391807024333161 19.9133218988243321
  0.7919320080038825  7.8853806752478350 19.8775159440741156
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  3.6211516486152151  9.2961043907372272 19.8105158075876631
  8.9385363344066366  3.2156059457423822 19.7277137674056888
 11.7459853032063162  1.5259890861961685 19.8293045586796701
 14.3318635168383359  0.0043741501064444 19.8837693158373483
  6.2875660153396975  7.7627551554531680 19.8945118446026079
  9.0635546596101069  6.1661041467099986 19.7279936967272640
 11.6062443276771656  4.6572652042016704 19.8696511459426262
  3.6146507163405621 12.5469178659126968 19.7845581867611067
  6.2960579840296100 10.9041067884655227 19.8260232434658086
  9.0347088605300989  9.3395911041461535 19.7768912697593144
  0.0833339487952816  3.1376776218208100 21.8101032512274458
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  1.0056484125606322  1.4776492758089605 18.6110271676670855
  3.5570286611464814  0.1221475263203402 18.7764714245593893
 -2.7282428678674413  7.6983771998852983 21.9190893340214323
 -4.6385884284032635  7.8866892926090095 18.7230179119876006
 -1.8216727494430571  6.2713743916082798 18.7344312438652345
  0.9661236890479835  4.7370150883530826 18.6854388464734349
 -5.4835709094137437 12.4578005335751758 21.7746151257798388
 -7.1718632298638685 12.4685887698844269 18.6310025717162233
 -4.4273339919334793 10.9320094579271512 18.7706212097425791
 -1.7182236515957037  9.3711164606278707 18.6997907117740674
  5.4538190070683212  3.0534029021838527 21.9390501960938096
  3.6346405524341470  3.0763075840552450 18.7036617135431982
  6.3285999998187332  1.5082351135778367 18.8053145997203650
  9.0544769712570954 -0.0455966720501636 18.6227800378688535
  2.7731343604398639  7.7315944083051926 21.8509268162904853
  0.9323334080000677  7.6969273318005316 18.8057491169240052
  3.5628518970363037  6.1268926671854649 18.7983222217095438
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  1.0004691611656720 10.8496968697435108 18.6319255403287869
  3.5753111640605915  9.3964686269270956 18.7381121457894153
 10.8044559243303802  3.1562250323710082 21.8528622925540610
  8.9597983918340809  3.1539782405253551 18.6209855520926659
 11.7970730934019095  1.4526929448263854 18.6777333689870453
 14.3500517107691223  0.0453273053930042 18.6468987597591962
  8.0252179307820271  7.7656742238452265 21.8354389032952767
  6.2544876514204022  7.7934213638567105 18.7355711877689757
  9.0933180381429981  6.2162119771826569 18.6384361602706079
 11.7913070361484262  4.7600057236302256 18.6744582674195918
  5.3189121984710175 12.3742030913437002 21.7940567948448027
  3.4446420105372093 12.3804631457857059 18.7267587816924568
  6.4107494574445809 10.7775899074891317 18.7501453993676570
  8.9760702533657124  9.3409795357632568 18.7255926539588309
  0.0524706620601537 -0.0106651881270607 23.2491335929930614
  2.7338756534689841  1.6439819970100487 23.1862247816412861
 -2.7770819633494699  4.6876804415361155 23.2589395634891005
 -0.1051603662038444  6.1435928350280040 23.2238931071461643
 -5.4943428048871965  9.2845960550517486 23.2743160976562358
 -2.7697448101037678 10.9429532399271157 23.2503457818989894
  5.3574876414175909  0.0913378967422057 23.1885236198045241
  8.0348875069432797  1.4814050942922046 23.1357269063221160
  2.7268605563223338  4.6552441034581973 23.1657893703277260
  5.4624268936048077  6.3201945590475068 23.0981863925710016
 -0.0199708597831735  9.4415792728545771 23.2426549681000871
  2.6703179042868941 10.8914950016432641 23.2325405664554623
 10.8192019962854182  0.0026954402849323 23.2531553310610555
 13.4810872836979225  1.6191323783342713 23.1937382540298351
  8.0766910755153418  4.5772036149771731 23.1708341904606172
 10.8832203263098144  6.1821516579840425 23.2450033184003786
  5.3573649330729145  9.2628027882816433 23.1654916504688764
  8.1046641774820110 10.8822851633939912 23.2075467515665892
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  0.9097165014787347  1.6528209630448731 29.6603170831844487
  3.5314229529232803 -0.0195031594897715 29.6391819339531857
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 -1.7251023085185651  6.3259641195970540 29.7243151944810933
  0.8908592310698400  4.6528823310873921 29.4835557629593978
  0.9867076745053582  7.8738421628133644 29.5385022895908591
  0.9018823653203271 10.8221575780667223 29.5848506058044727
  3.6453078299749113  9.3485333349647970 29.5212334989374767
 -1.6976209655815970 12.5166992834282080 29.5352380331077846
  6.3132382884754650  1.5349613161726954 29.5965589745331066
  8.9934274622563297  0.0572532204304975 29.4929403567868391
  3.5829089069197249  3.0858303509337910 29.5386010549212656
  3.6536702532350986  6.1433573204607992 29.7174675385478579
  6.2187176456588382  4.6713060661376922 29.6325832032728300
  6.3545326628861512  7.8284348026028594 29.4671214278070970
  6.2111657734037804 10.9825237249027285 29.5629023468699579
  8.9198638228336797  9.3545939386556505 29.5809399359590266
  3.5698603173457162 12.4123141209589605 29.5780601754703376
 11.6852413702548059  1.5795134366033012 29.6855322645870068
 14.4596746373327374  0.0041694180005853 29.5781120165419615
  9.0508286531869153  3.0408238560291321 29.5598334747099010
  9.0213096945009088  6.1363137971050410 29.6045654425266633
 11.6122440116397048  4.7251706943395622 29.5858155921422572
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 -3.5110219318777900  9.4005739173058664 30.2198572647340740
 -0.9528439178944769  7.7943902701524292 30.2269181187269531
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