vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 09 22 
  23:27:23 
 
 
  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 
    
   
   
           0.11855171       0.13690236       0.52294619 
           0.37820345       0.12541450       0.25913851 
           0.08802575       0.36642602       0.59083106 
           0.31064429       0.37765050       0.21629373 
           0.35428651       0.37491237       0.61846946 
           0.12367373       0.12442733       0.31188596 
           0.34741064       0.11430777       0.45880823 
           0.11499993       0.37844839       0.36188997 
           0.36469506       0.37297894       0.41311663 
           0.10744132       0.60039412       0.53023302 
           0.37475567       0.62695339       0.26070271 
           0.13128016       0.87033925       0.57248538 
           0.30907520       0.87453446       0.21771463 
           0.38124083       0.87664068       0.62687999 
           0.12048965       0.62847781       0.31208739 
           0.35934789       0.60722413       0.47695068 
           0.11338475       0.87203962       0.36151105 
           0.36941246       0.85456177       0.41431828 
           0.60896021       0.12976971       0.52462336 
           0.87600623       0.13264123       0.25774169 
           0.53646033       0.37737005       0.56729509 
           0.80945352       0.38196797       0.21584840 
           0.62732364       0.12898051       0.31206120 
           0.88052912       0.12560048       0.46928264 
           0.62092079       0.37660502       0.36418350 
           0.87027211       0.37395145       0.41538030 
           0.61824723       0.61720065       0.52725169 
           0.87049682       0.63011673       0.26088604 
           0.62583674       0.87627392       0.57377229 
           0.80895794       0.87927306       0.21850719 
           0.88541841       0.89921655       0.61995004 
           0.62320658       0.62626040       0.31297778 
           0.86804878       0.61979090       0.47316030 
           0.62523682       0.87432814       0.36205270 
           0.87074097       0.87364493       0.41743315 
           0.13168314       0.00252355       0.54908772 
           0.37054084       0.24996373       0.23158618 
           0.42465337       0.25550575       0.63447881 
           0.11456388       0.24883003       0.55677469 
           0.37509988       0.50114821       0.23304286 
           0.42704886       0.50294347       0.63270073 
           0.35728000       0.36101128       0.55616932 
           0.17431774       0.38847682       0.23228607 
           0.18817303       0.38040218       0.62529011 
           0.25557376       0.12045629       0.28813967 
           0.01299762       0.13308022       0.27807691 
           0.11002991       0.00159570       0.33812830 
           0.36000972       0.24900456       0.43810435 
           0.11473330       0.25183199       0.33561547 
           0.36071601       0.49892915       0.43832452 
           0.49622149       0.37237189       0.39148139 
           0.24528554       0.37668585       0.38526274 
           0.23198982       0.12512903       0.48814134 
           0.98981803       0.13359306       0.50037127 
           0.06188905       0.50153173       0.56795336 
           0.37435135       0.75154934       0.23291791 
           0.40002995       0.74306374       0.64577248 
           0.13662690       0.74656268       0.54635005 
           0.37980400       0.99973297       0.23132951 
           0.39836790       0.00774497       0.64503560 
           0.50095215       0.87631774       0.59916893 
           0.17621713       0.86758205       0.23722092 
           0.25124619       0.87461295       0.60306644 
           0.25281976       0.62978681       0.28904670 
           0.00083511       0.61904370       0.28289243 
           0.11718286       0.50488683       0.33767900 
           0.37592978       0.74590036       0.45308365 
           0.10354899       0.75216882       0.33508636 
           0.35737393       0.99681115       0.42993197 
           0.49263000       0.84854385       0.38608195 
           0.24569405       0.84690266       0.38590347 
           0.24008207       0.57520797       0.50495928 
           0.99313052       0.61685414       0.49743222 
           0.61354419       0.00763713       0.54024940 
           0.87784934       0.25789991       0.22999824 
           0.59537486       0.26373129       0.54089468 
           0.86498345       0.50938928       0.23164248 
           0.95684746       0.46011425       0.71368126 
           0.96823438       0.32048735       0.61853610 
           0.67474372       0.36244974       0.23321261 
           0.49089737       0.43469237       0.63322645 
           0.75706190       0.13081033       0.28712302 
           0.50925090       0.12789502       0.28174071 
           0.62222552       0.00522108       0.33840866 
           0.87045625       0.25347446       0.44348618 
           0.62129488       0.25354967       0.33655017 
           0.86777980       0.49901363       0.44189969 
           0.99483085       0.37685952       0.38971636 
           0.74260290       0.37180082       0.39149290 
           0.73611261       0.12061956       0.49416487 
           0.50281679       0.09494595       0.48133410 
           0.62786976       0.50113353       0.55524617 
           0.87427870       0.75829493       0.23513620 
           0.90421134       0.83287422       0.66597693 
           0.62681731       0.74306514       0.54775622 
           0.87714217       0.00642563       0.23054830 
           0.92612039       0.04711182       0.63235175 
           0.98471639       0.84689287       0.59338219 
           0.67594990       0.87275718       0.23841862 
           0.74467864       0.88622453       0.60479610 
           0.75366010       0.62598125       0.28991636 
           0.50233924       0.62266658       0.28457489 
           0.61768142       0.50503728       0.34038526 
           0.86141577       0.75196234       0.44726964 
           0.62731673       0.75378171       0.33579847 
           0.88236542       0.99993967       0.44364407 
           0.99919231       0.86864262       0.39296893 
           0.74369372       0.87733765       0.39089984 
           0.73689367       0.60963627       0.50016125 
           0.48519221       0.58385648       0.50727740 
           0.33095289       0.37098910       0.16593560 
           0.31280922       0.87461651       0.16697718 
           0.82854443       0.38476913       0.16528325 
           0.81537933       0.87326405       0.16769168 
           0.08245033       0.50117808       0.61010353 
           0.93689648       0.42496451       0.66466205 
           0.11770511       0.32506980       0.22610144 
           0.11337696       0.92087391       0.22802564 
           0.61425282       0.42279575       0.22783032 
           0.61412476       0.92831318       0.22965931 
           0.31408239       0.44125743       0.15060436 
           0.34394508       0.94325632       0.15352483 
           0.84426305       0.46149414       0.15350982 
           0.83424305       0.94547140       0.15357303 
           0.27150925       0.14622443       0.62312984 
           0.31635669       0.59101217       0.67826268 
           0.27729908       0.60750623       0.62135775 
           0.31416350       0.15903516       0.67975393 
           0.01719395       0.46924031       0.68391931 
           0.94115086       0.77072125       0.67828261 
           0.88805724       0.07330179       0.64644298 
           0.95015615       0.56790536       0.57920372 
           0.73681797       0.33550253       0.62525288 
           0.34918969       0.60220160       0.64524191 
           0.34360260       0.14980257       0.64640867 
   
  
  
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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 
   
  
  
          0.11855171       0.13690236       0.52294619 
          0.37820345       0.12541450       0.25913851 
          0.08802575       0.36642602       0.59083106 
          0.31064429       0.37765050       0.21629373 
          0.35428651       0.37491237       0.61846946 
          0.12367373       0.12442733       0.31188596 
          0.34741064       0.11430777       0.45880823 
          0.11499993       0.37844839       0.36188997 
          0.36469506       0.37297894       0.41311663 
          0.10744132       0.60039412       0.53023302 
          0.37475567       0.62695339       0.26070271 
          0.13128016       0.87033925       0.57248538 
          0.30907520       0.87453446       0.21771463 
          0.38124083       0.87664068       0.62687999 
          0.12048965       0.62847781       0.31208739 
          0.35934789       0.60722413       0.47695068 
          0.11338475       0.87203962       0.36151105 
          0.36941246       0.85456177       0.41431828 
          0.60896021       0.12976971       0.52462336 
          0.87600623       0.13264123       0.25774169 
          0.53646033       0.37737005       0.56729509 
          0.80945352       0.38196797       0.21584840 
          0.62732364       0.12898051       0.31206120 
          0.88052912       0.12560048       0.46928264 
          0.62092079       0.37660502       0.36418350 
          0.87027211       0.37395145       0.41538030 
          0.61824723       0.61720065       0.52725169 
          0.87049682       0.63011673       0.26088604 
          0.62583674       0.87627392       0.57377229 
          0.80895794       0.87927306       0.21850719 
          0.88541841       0.89921655       0.61995004 
          0.62320658       0.62626040       0.31297778 
          0.86804878       0.61979090       0.47316030 
          0.62523682       0.87432814       0.36205270 
          0.87074097       0.87364493       0.41743315 
          0.13168314       0.00252355       0.54908772 
          0.37054084       0.24996373       0.23158618 
          0.42465337       0.25550575       0.63447881 
          0.11456388       0.24883003       0.55677469 
          0.37509988       0.50114821       0.23304286 
          0.42704886       0.50294347       0.63270073 
          0.35728000       0.36101128       0.55616932 
          0.17431774       0.38847682       0.23228607 
          0.18817303       0.38040218       0.62529011 
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          0.73681797       0.33550253       0.62525288 
          0.34918969       0.60220160       0.64524191 
          0.34360260       0.14980257       0.64640867 
  
 
 
  
   
   
   
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