vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  22:39:04 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      19.66310000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       1632.96160543 
    
            0.13049549       0.00000000       0.00000000 
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            0.00000000       0.00000000       0.09227425 
    
   
   
           0.92828555       0.53830194       0.07222113 
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           0.12317558       0.45708125       0.16876780 
           0.14096718       0.31137457       0.32109757 
           0.81261871       0.32439793       0.03047594 
           0.94271266       0.45754953       0.50717276 
           0.09107349       0.33857381       0.11516567 
           0.17145183       0.42774145       0.37336020 
           0.90538786       0.57658153       0.56653247 
           0.76885142       0.25157205       0.85495961 
           0.12155282       0.51775746       0.67075146 
           0.00478599       0.22480782       0.71940960 
           0.90954266       0.34342680       0.58675626 
           0.85901544       0.43512830       0.95351211 
           0.16559711       0.33657744       0.71028327 
           0.10952853       0.43609838       0.82659783 
           0.42725271       0.45242230       0.12045047 
           0.33297827       0.23826537       0.43947082 
           0.70894189       0.48419946       0.17890739 
           0.56300903       0.28619933       0.33380696 
           0.32651318       0.31473320       0.98432542 
           0.44369025       0.44179926       0.46906003 
           0.54185342       0.33698288       0.13697680 
           0.71759059       0.42353357       0.36537216 
           0.41545477       0.53864346       0.59758936 
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           0.43656804       0.65829636       0.59993403 
           0.74378188       0.60614842       0.87779028 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
          23 
          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
          36 
  
 
 
  
          2        1        2 
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          0.50000000       0.00000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       605.39200000
         0.00001000
       38
       10
      108
       -1
       -1
       142.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     F  
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      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      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  
   
   
       200
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000002
           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
       96
       54
       80
      192
      108
    F  
  
  
        0
       -1
        0
        2
         0.00000000
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        0
         0.50000000
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         0.00010000
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        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
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      301
        10.00000000
       -10.00000000
         0.00000000
  
  
        1
    F  
    F  
    F  
    F  
    F  
    F  
    F  
    F  
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        3
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000      1.00000000
         0.00000000      0.00000000      0.00000000
         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
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        1
        1
        1
    F  
    F  
    F  
        0
        0
    F  
         0.00000000
         0.00000000
        0
  
  
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
        27.21602676
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
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        -0.10000000
         0.00000000
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    F  
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    T  
    F  
    F  
    F  
    T  
        0
         0.00000000      0.00000000      0.00000000
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    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
      200
        1
        3
        4
        0
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        0
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    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  
  
 
 
        36 
         3 
  
   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
    O    2
    O    2
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       2O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      19.66310000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      1632.96160543 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.05085668       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.92828555       0.53830194       0.07222113 
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          0.76885142       0.25157205       0.85495961 
          0.12155282       0.51775746       0.67075146 
          0.00478599       0.22480782       0.71940960 
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          0.16559711       0.33657744       0.71028327 
          0.10952853       0.43609838       0.82659783 
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          0.70894189       0.48419946       0.17890739 
          0.56300903       0.28619933       0.33380696 
          0.32651318       0.31473320       0.98432542 
          0.44369025       0.44179926       0.46906003 
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          0.71759059       0.42353357       0.36537216 
          0.41545477       0.53864346       0.59758936 
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          0.67486714       0.54056720       0.70768511 
          0.54651741       0.21382693       0.71846549 
          0.40223503       0.33593197       0.57120343 
          0.38322930       0.42696233       0.91375369 
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          0.64161940       0.43611932       0.80610312 
          0.39107296       0.62153842       0.53262827 
          0.65751318       0.60195811       0.81208183 
          0.43656804       0.65829636       0.59993403 
          0.74378188       0.60614842       0.87779028 
  
 
 
  
       9.38    9.43
      11.06   11.10
   
         27.86983208 
       9106.67140328 
     -12779.31347913 
       -236.10092030 
       3513.49417245 
      -2953.91778466 
         -0.00433112 
       -207.77872706 
       4187.58753671 
        658.50770226 
        658.51203338 
        658.50914596 
   
  
  
      12.66   12.67
      12.66   12.68
   
        -87.67998090 
        -87.66196875 
        -87.67397685 
   
  
  
      12.55   12.57
      12.55   12.57
   
       -175.40353256 
       -175.38913887 
       -175.39873466 
   
  
  
      12.53   12.55
      12.53   12.55
   
       -178.40892760 
       -178.39608638 
       -178.40464719 
   
  
  
      14.00   14.03
      14.17   14.20
   
       -178.54657236 
       -178.53380515 
       -178.54231662 
   
  
  
      10.59   10.66
      11.72   11.80
   
       -145.67442266 
       -145.66081966 
       -145.66988832 
   
  
  
      11.28   11.33
      12.30   12.35
   
       -149.00282254 
       -149.00190790 
       -149.00251766 
   
  
  
      12.91   12.95
      13.86   13.91
   
       -150.08179450 
       -150.08740141 
       -150.08366347 
   
  
  
      11.77   11.83
      12.71   12.78
   
       -156.42986132 
       -156.41430281 
       -156.42467515 
   
  
  
      11.58   11.65
      12.65   12.72
   
       -160.07540140 
       -160.04693666 
       -160.06591315 
   
  
  
      11.40   11.48
      12.37   12.46
   
       -169.76689147 
       -169.76093324 
       -169.76490539 
   
  
  
      11.04   11.10
      12.08   12.15
   
       -176.09277961 
       -176.12867585 
       -176.10474503 
   
  
  
      11.24   11.32
      12.35   12.43
   
       -180.01570794 
       -180.05506116 
       -180.02882568 
   
  
  
      11.67   11.73
      12.85   12.91
   
       -181.12745084 
       -181.16392107 
       -181.13960758 
   
  
  
      11.63   11.70
      12.87   12.95
   
       -181.57814821 
       -181.61367451 
       -181.58999031