vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 13 
  18:28:37 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.99000000      0.32000000      0.75000000
       -0.00300000      0.00000000     -0.00100000      0.00100000      0.00000000      0.01700000      0.06100000      0.01500000     -0.00100000      0.00600000      0.00100000      0.00100000      0.00100000      0.00000000     -0.00300000      0.00000000      0.01800000      0.01000000      0.00400000      0.00000000
     -0.00400000     -0.00100000      0.00100000      0.17200000      0.01700000      0.00000000      0.01700000     -0.04100000      0.00600000      0.00000000      0.00000000      0.00100000      0.00000000     -0.00100000     -0.00800000      0.02300000      0.00100000      0.00400000      0.00000000      0.00000000
      0.00000000     -0.00100000      0.00000000      0.00000000      0.00100000      0.00000000      0.00000000      0.00200000      0.00100000      0.00600000     -0.00100000      0.01400000      0.00100000     -0.00200000      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10600000      0.00400000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      25.32620000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       2103.26511137 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.03948480       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.98636182       0.46036486       0.13914213 
           0.47174708       0.66303447       0.73523081 
           0.12165486       0.47399508       0.23059925 
           0.95027123       0.68296375       0.34096309 
           0.00635044       0.23882474       0.43130394 
           0.25635044       0.23882474       0.31631854 
           0.00635044       0.31174210       0.06192108 
           0.25635044       0.31174210       0.18570140 
           0.00635044       0.38824623       0.43553353 
           0.25635044       0.38824623       0.31208895 
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           0.00057364       0.30899719       0.85986157 
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           0.00635044       0.31174210       0.56192108 
           0.25635044       0.31174210       0.68570140 
           0.00635044       0.38824623       0.93553353 
           0.25635044       0.38824623       0.81208895 
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           0.71124874       0.48769084       0.18538640 
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           0.75635044       0.23882474       0.31631854 
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           0.75635044       0.38824623       0.31208895 
           0.37050249       0.37390388       0.75563785 
           0.37658516       0.49771706       0.08441915 
           0.59539028       0.45553098       0.62437486 
           0.58718807       0.45279800       0.77470001 
           0.50635044       0.23882474       0.93130394 
           0.75635044       0.23882474       0.81631854 
           0.75635044       0.31174210       0.68570140 
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           0.14415618       0.80227912       0.72718074 
           0.67700288       0.04303898       0.94394283 
           0.00655081       0.63526569       0.14621003 
           0.33696306       0.59390617       0.20305963 
           0.17553998       0.58925359       0.97244500 
           0.58516014       0.47761501       0.11059542 
           0.86537125       0.16915479       0.55198669 
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           0.11720447       0.16237135       0.97608526 
           0.47025377       0.09667641       0.25442795 
           0.49013834       0.18659410       0.03762242 
           0.58937891       0.12775441       0.83412282 
           0.19854637       0.71904093       0.79799092 
           0.81556293       0.52966593       0.27827609 
           0.74808757       0.69290167       0.56936210 
           0.69762393       0.77170936       0.01085740 
           0.35047900       0.66422267       0.38400666 
           0.28081561       0.54809194       0.02200100 
           0.42254607       0.60727498       0.54399044 
           0.75057719       0.45881711       0.07538071 
           0.38304524       0.41607848       0.94835092 
           0.12358870       0.45084180       0.10864113 
           0.56040591       0.39869615       0.01551642 
           0.52784645       0.36051532       0.43071855 
           0.14948746       0.93612897       0.63532555 
           0.75015991       0.14595893       0.45514323 
           0.12838600       0.05443680       0.35723941 
           0.96892866       0.18300251       0.91481225 
           0.23561974       0.17975704       0.24279815 
           0.31592476       0.15115251       0.05247640 
           0.69421754       0.15097021       0.74686395 
           0.68745141       0.21315358       0.89304675 
           0.74851563       0.28854402       0.05592178 
   
  
  
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          62 
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          64 
          65 
          66 
          67 
          68 
          69 
          70 
          71 
          72 
          73 
          74 
          75 
  
 
 
  
          3        1        2 
         0.00000000       0.00000000       0.00000000 
         0.33333333       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.33333333       0.00000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.33333333       0.00000000       0.50000000 
  
  
          0.16666667 
          0.33333333 
          0.16666667 
          0.33333333 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       627.11200000
         0.00001000
       38
       10
      189
       -1
       -1
       299.00000000
        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
   
   
         2
     F  
         -0.00300000      0.00000000     -0.00100000      0.00100000      0.00000000      0.01700000      0.06100000      0.01500000     -0.00100000      0.00600000      0.00100000      0.00100000      0.00100000      0.00000000     -0.00300000      0.00000000      0.01800000      0.01000000      0.00400000      0.00000000
     -0.00400000     -0.00100000      0.00100000      0.17200000      0.01700000      0.00000000      0.01700000     -0.04100000      0.00600000      0.00000000      0.00000000      0.00100000      0.00000000     -0.00100000     -0.00800000      0.02300000      0.00100000      0.00400000      0.00000000      0.00000000
      0.00000000     -0.00100000      0.00000000      0.00000000      0.00100000      0.00000000      0.00000000      0.00200000      0.00100000      0.00600000     -0.00100000      0.01400000      0.00100000     -0.00200000      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10600000      0.00400000
         -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
   
  
  
       40
      126
       54
       80
      252
      108
    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      0.99000000      0.32000000      0.75000000
      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
  
  
        3
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000     35.45300000      1.00000000     14.00100000
         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
        16.82612089
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
        -1.00000000
         0.00200000
        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
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    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  
  
 
 
        75 
         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
    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
    Cl   3
    Cl   3
    Cl   3
    Cl   3
    Cl   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
    N    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      40Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      14O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       5Cl     35.45300000      7.00000000  PAW_PBE Cl 06Sep2000                  
      15H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      25.32620000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      2103.26511137 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.03948480       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.98636182       0.46036486       0.13914213 
          0.47174708       0.66303447       0.73523081 
          0.12165486       0.47399508       0.23059925 
          0.95027123       0.68296375       0.34096309 
          0.00635044       0.23882474       0.43130394 
          0.25635044       0.23882474       0.31631854 
          0.00635044       0.31174210       0.06192108 
          0.25635044       0.31174210       0.18570140 
          0.00635044       0.38824623       0.43553353 
          0.25635044       0.38824623       0.31208895 
          0.83288933       0.46688457       0.60805413 
          0.84117908       0.53807858       0.24043575 
          0.09482907       0.43918891       0.62758844 
          0.00057364       0.30899719       0.85986157 
          0.25635044       0.23882474       0.81631854 
          0.00635044       0.31174210       0.56192108 
          0.25635044       0.31174210       0.68570140 
          0.00635044       0.38824623       0.93553353 
          0.25635044       0.38824623       0.81208895 
          0.41420266       0.46703511       0.12605734 
          0.27756545       0.61300048       0.77612300 
          0.68453723       0.39311917       0.16888926 
          0.71124874       0.48769084       0.18538640 
          0.50635044       0.23882474       0.43130394 
          0.75635044       0.23882474       0.31631854 
          0.50635044       0.31174210       0.06192108 
          0.75635044       0.31174210       0.18570140 
          0.50635044       0.38824623       0.43553353 
          0.75635044       0.38824623       0.31208895 
          0.37050249       0.37390388       0.75563785 
          0.37658516       0.49771706       0.08441915 
          0.59539028       0.45553098       0.62437486 
          0.58718807       0.45279800       0.77470001 
          0.50635044       0.23882474       0.93130394 
          0.75635044       0.23882474       0.81631854 
          0.75635044       0.31174210       0.68570140 
          0.50635044       0.38824623       0.93553353 
          0.75635044       0.38824623       0.81208895 
          0.11389473       0.47134175       0.82606052 
          0.14423113       0.35369748       0.39011707 
          0.83385405       0.51073646       0.31871593 
          0.68471410       0.34305806       0.04136065 
          0.14415618       0.80227912       0.72718074 
          0.67700288       0.04303898       0.94394283 
          0.00655081       0.63526569       0.14621003 
          0.33696306       0.59390617       0.20305963 
          0.17553998       0.58925359       0.97244500 
          0.58516014       0.47761501       0.11059542 
          0.86537125       0.16915479       0.55198669 
          0.22133258       0.11065627       0.29615713 
          0.11720447       0.16237135       0.97608526 
          0.47025377       0.09667641       0.25442795 
          0.49013834       0.18659410       0.03762242 
          0.58937891       0.12775441       0.83412282 
          0.19854637       0.71904093       0.79799092 
          0.81556293       0.52966593       0.27827609 
          0.74808757       0.69290167       0.56936210 
          0.69762393       0.77170936       0.01085740 
          0.35047900       0.66422267       0.38400666 
          0.28081561       0.54809194       0.02200100 
          0.42254607       0.60727498       0.54399044 
          0.75057719       0.45881711       0.07538071 
          0.38304524       0.41607848       0.94835092 
          0.12358870       0.45084180       0.10864113 
          0.56040591       0.39869615       0.01551642 
          0.52784645       0.36051532       0.43071855 
          0.14948746       0.93612897       0.63532555 
          0.75015991       0.14595893       0.45514323 
          0.12838600       0.05443680       0.35723941 
          0.96892866       0.18300251       0.91481225 
          0.23561974       0.17975704       0.24279815 
          0.31592476       0.15115251       0.05247640 
          0.69421754       0.15097021       0.74686395 
          0.68745141       0.21315358       0.89304675 
          0.74851563       0.28854402       0.05592178 
  
  
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      26.03   26.05
      27.07   27.10
   
        123.65170997 
      21619.33146174 
     -31954.62332478 
        177.99037510 
      10239.95902789 
      -9563.30171726 
          0.00615399 
       -530.12374646 
      12674.55391393 
       2787.44385412 
       2787.43770013 
       2787.44180279 
   
  
  
      32.13   32.15
      32.13   32.15
   
        776.07622779 
        776.07698853 
        776.07648137 
   
  
  
      33.68   33.71
      33.69   33.72
   
        427.97834912 
        428.02514458 
        427.99394761 
   
  
  
      32.84   32.86
      32.85   32.86
   
        404.47962754 
        404.51189737 
        404.49038415 
   
  
  
      34.64   34.70
      34.91   34.97
   
        403.48048013 
        403.51054074 
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      40.05   40.11
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      33.72   33.76
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        306.19525302 
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      30.01   30.08
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        434.08259785 
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      35.23   35.27
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        297.62082984 
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      32.58   32.64
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      32.63   32.69
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        433.23706305 
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      33.69   33.73
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      34.64   34.68
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      33.02   33.09
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      34.76   34.83
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      27.51   27.57
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      35.82   35.87
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      27.17   27.26
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      27.88   27.91
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      27.39   27.46
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