vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 09 22 
  23:27:22 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.82000000      0.32000000      0.77000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           11.20000000       0.00000000       0.00000000 
            0.00000000      11.20000000       0.00000000 
            0.00000000       0.00000000      32.40000000 
    
       4064.25600000 
    
            0.08928571       0.00000000       0.00000000 
            0.00000000       0.08928571       0.00000000 
            0.00000000       0.00000000       0.03086420 
    
   
   
           0.12470673       0.13039354       0.52234411 
           0.37958848       0.12332179       0.25970075 
           0.10520163       0.36558098       0.57499040 
           0.31560549       0.37475565       0.21666408 
           0.35439369       0.37514369       0.62399695 
           0.12927495       0.12293458       0.31285711 
           0.37479767       0.12206620       0.46620343 
           0.12277983       0.37641216       0.36204123 
           0.37141270       0.37348463       0.41426756 
           0.11776378       0.60814806       0.52296850 
           0.37645288       0.62515578       0.25973195 
           0.12347871       0.87233974       0.57297457 
           0.31293763       0.87479403       0.21784830 
           0.38594868       0.87548151       0.62236547 
           0.12653158       0.62783078       0.31237550 
           0.36960993       0.62119239       0.46861217 
           0.12359510       0.87614926       0.36717625 
           0.37960712       0.86832119       0.41417413 
           0.61839799       0.12018428       0.52092219 
           0.88015270       0.12880461       0.25997324 
           0.58934082       0.38296650       0.57269113 
           0.81340045       0.37779185       0.21643057 
           0.62941688       0.12729920       0.31261626 
           0.87099288       0.12973250       0.47097284 
           0.62408239       0.37489935       0.36391611 
           0.87317430       0.37601770       0.41524384 
           0.61952411       0.63519697       0.51966624 
           0.87869780       0.62713814       0.25935627 
           0.62564392       0.87694553       0.57224589 
           0.81329772       0.87953986       0.21904886 
           0.86840362       0.92078803       0.62329407 
           0.62992310       0.62053807       0.31102196 
           0.86951342       0.62493040       0.46877458 
           0.62993387       0.87074667       0.36002952 
           0.87239047       0.87834014       0.41778197 
           0.12761321       0.00079063       0.54819481 
           0.37471442       0.24912743       0.23307826 
           0.39031045       0.23556029       0.64458683 
           0.12493953       0.24667946       0.55160157 
           0.37953863       0.50070179       0.23180481 
           0.38499433       0.51781183       0.64347987 
           0.44987948       0.36900008       0.58446095 
           0.17777458       0.38931949       0.23274088 
           0.23635469       0.37343546       0.60473592 
           0.25642998       0.11735027       0.28779296 
           0.01084535       0.12367051       0.28349505 
           0.12453228       0.00062468       0.34010485 
           0.35755561       0.24763678       0.44056244 
           0.12374293       0.25013276       0.33716354 
           0.36465267       0.49915168       0.44033427 
           0.50023777       0.37048002       0.39082213 
           0.24825309       0.37552824       0.38698305 
           0.25012105       0.11021312       0.49218582 
           0.00020602       0.12341971       0.49328830 
           0.10761851       0.49191367       0.54950262 
           0.37788922       0.75091701       0.23303912 
           0.38177264       0.73644400       0.64516367 
           0.12757738       0.74222515       0.54693633 
           0.38357527       0.99940190       0.23163908 
           0.38128824       0.01441223       0.64457581 
           0.50870527       0.87488618       0.59924882 
           0.17834277       0.86773410       0.23724542 
           0.25153878       0.87316307       0.60099270 
           0.25394866       0.62792555       0.28793373 
           0.00661755       0.62055545       0.28423029 
           0.12563184       0.50309518       0.33801733 
           0.37154032       0.75099309       0.44436198 
           0.11876188       0.75247213       0.33967494 
           0.40170367       0.99880765       0.43888683 
           0.49719724       0.84605859       0.38317639 
           0.24513832       0.87752537       0.39330041 
           0.24445784       0.61799374       0.49493145 
           0.99342970       0.62875569       0.49479293 
           0.61686048       0.99580719       0.54250055 
           0.88066296       0.25561454       0.23381527 
           0.60967956       0.25391116       0.54401534 
           0.87190676       0.50664296       0.23030046 
           0.95407449       0.33517258       0.68290370 
           0.98458615       0.35913847       0.61305585 
           0.67519530       0.35965632       0.23141689 
           0.63775938       0.44806966       0.62019842 
           0.75909651       0.12483699       0.28773964 
           0.50829041       0.12358858       0.28341399 
           0.62446340       0.00281164       0.33914646 
           0.87697439       0.25182104       0.44243202 
           0.62567444       0.25203710       0.33742507 
           0.87516469       0.50183673       0.44142220 
           0.99967852       0.37681678       0.38910785 
           0.74756311       0.37433499       0.39070946 
           0.74888655       0.14063948       0.49981658 
           0.49921410       0.13288686       0.49342386 
           0.62051548       0.50330565       0.54203085 
           0.87967594       0.75770816       0.23551245 
           0.90162701       0.85543693       0.67052555 
           0.62224791       0.75054083       0.54464626 
           0.88160743       0.00635093       0.23167641 
           0.91240395       0.05931283       0.62119590 
           0.98660321       0.87075983       0.59606329 
           0.67893966       0.87319478       0.23841416 
           0.74524056       0.87449131       0.59744558 
           0.75652084       0.61594940       0.28562024 
           0.50519625       0.61902858       0.28359437 
           0.62331016       0.49942325       0.33859044 
           0.86797779       0.75395262       0.44427655 
           0.64214541       0.75290584       0.33202131 
           0.86162187       0.99950181       0.44655200 
           0.00440201       0.88297046       0.39572798 
           0.75273546       0.87649915       0.38863850 
           0.74366468       0.61822720       0.49551926 
           0.49701508       0.61885426       0.49384652 
           0.33261380       0.36767951       0.16598995 
           0.31515303       0.87492995       0.16676629 
           0.83499526       0.37818715       0.16577088 
           0.81787226       0.87472310       0.16814500 
           0.82564260       0.50933476       0.65171759 
           0.93707274       0.39727707       0.64752207 
           0.11966062       0.32643008       0.22634624 
           0.11565796       0.92173118       0.22772130 
           0.61524166       0.42309682       0.22689053 
           0.61666828       0.92893094       0.22926755 
           0.31606945       0.43919580       0.15161791 
           0.34545217       0.94387175       0.15375563 
           0.84626380       0.45678384       0.15535959 
           0.83581742       0.94661793       0.15426728 
           0.23753827       0.12125096       0.62512224 
           0.27653560       0.63036250       0.67998612 
           0.23808043       0.63558465       0.62389676 
           0.27760950       0.12222313       0.68103344 
           0.95452127       0.40765402       0.71702713 
           0.84439322       0.70006775       0.65825466 
           0.86229376       0.11714591       0.65076925 
           0.69827699       0.45952857       0.67526744 
           0.91832645       0.43886541       0.56358320 
           0.30909705       0.62789418       0.64770511 
           0.31000837       0.12420832       0.64838062 
   
  
  
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         135 
  
 
 
  
          2        2        1 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.50000000       0.50000000       0.00000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
      392
       -1
       -1
       648.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         1
     F  
          1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
        60
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000001
           0.30000000
          4
           0.40000000
    
   
   
          0.40000000
          1.00000000
          0.10000000
          1.60000000
          1.00000000
    
          4
      F  
        -45
         100.00000000
          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       56
       56
      160
      112
      112
      320
    F  
  
  
        0
       -1
        0
        2
         0.00000000
        -0.02000000
        0
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      0.73000000      0.82000000      0.32000000      0.77000000
      301
        10.00000000
       -10.00000000
         0.00000000
  
  
        1
    F  
    F  
    F  
    F  
    F  
    F  
    F  
    F  
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000     10.81100000      1.00000000     12.01100000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
    T  
  
   T  
   F  
       0
   F  
       0
  
   --
        1
    F  
   
    F  
    F  
    F  
    F  
    F  
        -1.00000000
        0
        0
         0.00000000
         0.00000000
         0.00000000
         1.00000000
         1.00000000
         1.00000000
         1.00000000
        1
        1
        1
    F  
    F  
    F  
        0
        0
    F  
         0.00000000
         0.00000000
        0
  
  
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
        18.06336000
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
        -1.00000000
         0.00200000
        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
    F  
         0.00000000      0.00000000      0.00000000
    T  
    F  
    F  
    F  
    T  
        0
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000
  
  
    F  
    F  
    F  
    F  
    T  
        0
       -1     0     0     0
    F  
    F  
    F  
    F  
    F  
    F  
        2
    F  
    F  
    F  
    F  
    F  
    F  
        -2.00000000
        -2.00000000
        -1.00000000
    F  
       -1
         0.00000000
        0
        0
       -1
       -1
       -1
       60
        1
        3
        4
        0
       -30.00000000
       -30.00000000
      -200.00000000
        0
        -0.10000000
    F  
    F  
    F  
    F  
    F  
    F  
    F  
        1
        1
        1
     2800
        0
       -1
       -1
         0.80000001
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
       135 
         5 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    B    3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    C    5
    C    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      35Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      80O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       1B      10.81100000      3.00000000  PAW_PBE B 06Sep2000                   
      17H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       2C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
   
  
 
 
  
   
          11.20000000       0.00000000       0.00000000 
           0.00000000      11.20000000       0.00000000 
           0.00000000       0.00000000      32.40000000 
   
      4064.25600000 
   
           0.08928571       0.00000000       0.00000000 
           0.00000000       0.08928571       0.00000000 
           0.00000000       0.00000000       0.03086420 
   
  
  
          0.12470673       0.13039354       0.52234411 
          0.37958848       0.12332179       0.25970075 
          0.10520163       0.36558098       0.57499040 
          0.31560549       0.37475565       0.21666408 
          0.35439369       0.37514369       0.62399695 
          0.12927495       0.12293458       0.31285711 
          0.37479767       0.12206620       0.46620343 
          0.12277983       0.37641216       0.36204123 
          0.37141270       0.37348463       0.41426756 
          0.11776378       0.60814806       0.52296850 
          0.37645288       0.62515578       0.25973195 
          0.12347871       0.87233974       0.57297457 
          0.31293763       0.87479403       0.21784830 
          0.38594868       0.87548151       0.62236547 
          0.12653158       0.62783078       0.31237550 
          0.36960993       0.62119239       0.46861217 
          0.12359510       0.87614926       0.36717625 
          0.37960712       0.86832119       0.41417413 
          0.61839799       0.12018428       0.52092219 
          0.88015270       0.12880461       0.25997324 
          0.58934082       0.38296650       0.57269113 
          0.81340045       0.37779185       0.21643057 
          0.62941688       0.12729920       0.31261626 
          0.87099288       0.12973250       0.47097284 
          0.62408239       0.37489935       0.36391611 
          0.87317430       0.37601770       0.41524384 
          0.61952411       0.63519697       0.51966624 
          0.87869780       0.62713814       0.25935627 
          0.62564392       0.87694553       0.57224589 
          0.81329772       0.87953986       0.21904886 
          0.86840362       0.92078803       0.62329407 
          0.62992310       0.62053807       0.31102196 
          0.86951342       0.62493040       0.46877458 
          0.62993387       0.87074667       0.36002952 
          0.87239047       0.87834014       0.41778197 
          0.12761321       0.00079063       0.54819481 
          0.37471442       0.24912743       0.23307826 
          0.39031045       0.23556029       0.64458683 
          0.12493953       0.24667946       0.55160157 
          0.37953863       0.50070179       0.23180481 
          0.38499433       0.51781183       0.64347987 
          0.44987948       0.36900008       0.58446095 
          0.17777458       0.38931949       0.23274088 
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          0.31000837       0.12420832       0.64838062 
  
 
 
  
   
   
   
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