vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 09 22 
  12:48:57 
 
 
  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 
    
   
   
           0.78179187       0.42284331       0.86732930 
           0.92942520       0.00233132       0.79419135 
           0.61803607       0.90364991       0.87482306 
           0.00661085       0.02383588       0.73641934 
           0.10919997       0.55502433       0.51788762 
           0.72434513       0.19945214       0.53177985 
           0.15565027       0.54290564       0.91495476 
           0.95462623       0.40807105       0.74183224 
           0.75940957       0.06946088       0.71296426 
           0.54946117       0.86064093       0.05327904 
           0.42249175       0.98400060       0.38603018 
           0.26663734       0.82982391       0.13954202 
           0.96737965       0.28059614       0.73200588 
           0.83365909       0.06989847       0.26705976 
           0.17292027       0.32491196       0.93353938 
           0.07723330       0.27615201       0.84655019 
           0.57116501       0.83583184       0.14468326 
           0.87705307       0.12906560       0.07692915 
           0.07962605       0.52618662       0.08398003 
           0.02325503       0.84120436       0.00006326 
           0.11994973       0.00892739       0.29887479 
           0.96820102       0.30097989       0.69413156 
           0.07894103       0.18411126       0.12377337 
           0.75400804       0.93141342       0.43639788 
           0.73443907       0.21336167       0.99681580 
           0.19589990       0.20027568       0.87889548 
           0.41309491       0.48848636       0.29994900 
           0.63642340       0.91846741       0.63373931 
           0.05841889       0.16248647       0.22569769 
           0.96918241       0.40349298       0.33702190 
           0.55195964       0.86018379       0.42556375 
           0.34525125       0.12120573       0.76415694 
           0.25419787       0.24004028       0.88026403 
           0.73662466       0.38911860       0.22205158 
           0.00083310       0.77832386       0.68582146 
           0.95292351       0.00194285       0.53566926 
           0.24188226       0.90826120       0.89272734 
           0.35666665       0.92073357       0.49315355 
           0.57722337       0.79332496       0.99706273 
           0.90914968       0.67688205       0.77983747 
           0.06425261       0.78754170       0.00911765 
           0.18952635       0.38681056       0.31048452 
           0.34207366       0.71667909       0.31879647 
           0.34392573       0.53668995       0.82626477 
           0.08148664       0.11177772       0.55129756 
           0.42380558       0.24099833       0.75598370 
           0.87476385       0.26264423       0.56617260 
           0.87972633       0.97151400       0.58423394 
           0.51120801       0.70707401       0.11582853 
           0.42899213       0.80320473       0.47852806 
           0.97773048       0.59687357       0.54765376 
           0.66310495       0.39031758       0.67299945 
           0.04012913       0.95985538       0.81128813 
           0.63982133       0.59324027       0.22324195 
           0.44612268       0.32715273       0.69532781 
           0.61686717       0.09248658       0.69501348 
           0.05293000       0.78111735       0.56357448 
           0.42466408       0.77478738       0.16118810 
           0.12958482       0.69207555       0.93704626 
           0.06241317       0.43193284       0.79977972 
           0.55588939       0.87692387       0.43744080 
           0.46434195       0.67450273       0.53795107 
           0.29951226       0.35373313       0.06605695 
           0.28509613       0.30988391       0.00559581 
           0.39476940       0.60491442       0.25537166 
           0.67496911       0.31136894       0.36081150 
           0.59094912       0.65890278       0.91287442 
           0.18957409       0.14786603       0.97763211 
           0.06594227       0.62221477       0.33049672 
           0.68822209       0.62689123       0.15462552 
           0.54647275       0.60939995       0.07564497 
           0.85325443       0.40497974       0.72689273 
           0.83929870       0.46925192       0.16948595 
           0.18955241       0.78444730       0.78875941 
           0.91876322       0.61324134       0.86763924 
           0.16994093       0.51643342       0.89598375 
           0.87527850       0.94733538       0.85750241 
           0.19976719       0.03394781       0.08984993 
           0.36565024       0.15455837       0.53616829 
           0.61865892       0.30581611       0.86352360 
           0.59393335       0.78397911       0.85905769 
           0.33627921       0.27242905       0.65620030 
           0.53135298       0.08427552       0.24231312 
           0.18660824       0.56750989       0.28775394 
           0.20102913       0.33956527       0.30670021 
           0.32948439       0.81284319       0.59241083 
           0.77731255       0.90061821       0.75832174 
           0.57199595       0.55276625       0.25069245 
           0.75024095       0.90441934       0.32596641 
           0.60034939       0.49978410       0.19720715 
           0.81852294       0.77360162       0.97134800 
           0.84477333       0.36185212       0.30665262 
           0.41501343       0.17656200       0.80031373 
           0.02121331       0.94956074       0.63875758 
           0.89401474       0.05803320       0.82234200 
           0.27157884       0.67999138       0.35389261 
           0.77615455       0.05110397       0.69181594 
           0.48978861       0.28546638       0.80732087 
           0.11034798       0.05249249       0.82025438 
           0.33300238       0.72222926       0.97272010 
           0.55104454       0.10322182       0.78676406 
           0.36475594       0.26495661       0.01677866 
           0.00247395       0.90704410       0.76897804 
           0.84190337       0.77556969       0.00657119 
           0.94418211       0.12744786       0.66184936 
           0.08601632       0.37058110       0.49634777 
           0.73218420       0.56313620       0.85579089 
           0.75575642       0.12666893       0.91972076 
           0.59519381       0.26665403       0.60075452 
           0.87423235       0.07569743       0.00361447 
           0.68509967       0.63306467       0.53640545 
           0.27834076       0.88267343       0.52426426 
           0.99908279       0.14734077       0.71170444 
           0.58505289       0.21366636       0.30056819 
           0.32067792       0.05027271       0.67807450 
           0.62163308       0.31824837       0.59077197 
           0.85640963       0.21439174       0.45247238 
           0.11778093       0.95600939       0.34060492 
           0.32194744       0.29001480       0.23726279 
           0.16410242       0.16535068       0.35970602 
           0.37285580       0.51899382       0.41856721 
           0.61470757       0.02735366       0.30683513 
           0.17222224       0.32322804       0.09037385 
           0.66157461       0.99876523       0.71953428 
           0.58303154       0.87701832       0.06487331 
           0.87207244       0.58913562       0.74394714 
           0.51981510       0.29222485       0.36977468 
           0.28699485       0.56408825       0.90565185 
           0.47342980       0.57717014       0.55805810 
           0.67874990       0.29196470       0.08286083 
           0.54620716       0.79320473       0.00846291 
           0.88384364       0.01822849       0.14846296 
           0.36158935       0.55297897       0.05448985 
           0.56470835       0.91603163       0.16827477 
           0.06403040       0.19861526       0.55428976 
   
  
  
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         132 
         133 
         134 
         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 
   
  
  
          0.78179187       0.42284331       0.86732930 
          0.92942520       0.00233132       0.79419135 
          0.61803607       0.90364991       0.87482306 
          0.00661085       0.02383588       0.73641934 
          0.10919997       0.55502433       0.51788762 
          0.72434513       0.19945214       0.53177985 
          0.15565027       0.54290564       0.91495476 
          0.95462623       0.40807105       0.74183224 
          0.75940957       0.06946088       0.71296426 
          0.54946117       0.86064093       0.05327904 
          0.42249175       0.98400060       0.38603018 
          0.26663734       0.82982391       0.13954202 
          0.96737965       0.28059614       0.73200588 
          0.83365909       0.06989847       0.26705976 
          0.17292027       0.32491196       0.93353938 
          0.07723330       0.27615201       0.84655019 
          0.57116501       0.83583184       0.14468326 
          0.87705307       0.12906560       0.07692915 
          0.07962605       0.52618662       0.08398003 
          0.02325503       0.84120436       0.00006326 
          0.11994973       0.00892739       0.29887479 
          0.96820102       0.30097989       0.69413156 
          0.07894103       0.18411126       0.12377337 
          0.75400804       0.93141342       0.43639788 
          0.73443907       0.21336167       0.99681580 
          0.19589990       0.20027568       0.87889548 
          0.41309491       0.48848636       0.29994900 
          0.63642340       0.91846741       0.63373931 
          0.05841889       0.16248647       0.22569769 
          0.96918241       0.40349298       0.33702190 
          0.55195964       0.86018379       0.42556375 
          0.34525125       0.12120573       0.76415694 
          0.25419787       0.24004028       0.88026403 
          0.73662466       0.38911860       0.22205158 
          0.00083310       0.77832386       0.68582146 
          0.95292351       0.00194285       0.53566926 
          0.24188226       0.90826120       0.89272734 
          0.35666665       0.92073357       0.49315355 
          0.57722337       0.79332496       0.99706273 
          0.90914968       0.67688205       0.77983747 
          0.06425261       0.78754170       0.00911765 
          0.18952635       0.38681056       0.31048452 
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