vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  14:58:18 
 
 
  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 
            0.00000000       0.05085668       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.91781769       0.53815211       0.06575307 
           0.84668231       0.30792296       0.38659872 
           0.11885863       0.45912161       0.15985017 
           0.13124634       0.31028524       0.31008649 
           0.80442022       0.33655416       0.00950257 
           0.93721779       0.46028494       0.50711460 
           0.08316581       0.34265707       0.10327585 
           0.15659085       0.42679637       0.36609363 
           0.97332215       0.57707393       0.57177722 
           0.76237761       0.25725914       0.84651798 
           0.19812798       0.55319790       0.72519761 
           0.00049199       0.22949525       0.71399227 
           0.90603934       0.34526400       0.58521054 
           0.84704352       0.44671204       0.92389657 
           0.16362552       0.34194775       0.70681737 
           0.11666965       0.44834234       0.81477842 
           0.42160505       0.45428126       0.11529510 
           0.32758766       0.23547799       0.42622674 
           0.70137523       0.48287859       0.17456704 
           0.56235198       0.28678654       0.32680823 
           0.32516116       0.31551380       0.97997246 
           0.43552875       0.42709502       0.45418122 
           0.54191315       0.33887026       0.12960519 
           0.71881189       0.42318350       0.36241918 
           0.42408025       0.50741733       0.60512210 
           0.26874879       0.23884684       0.82010657 
           0.70829232       0.56709278       0.67663354 
           0.53889059       0.21890584       0.71120373 
           0.39611467       0.32689171       0.56715138 
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           0.65143453       0.33954910       0.69671692 
           0.60999549       0.45041424       0.77543339 
           0.55471280       0.57364819       0.56648012 
           0.63672622       0.61643966       0.79408632 
           0.34953535       0.59296942       0.78490400 
           0.67542315       0.60886402       0.87936807 
   
  
  
           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 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
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          0.00000000       0.00000000       0.00000000 
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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  
          1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      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
        -0.02000000
        0
         0.50000000
        -3.00000000
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         0.00010000
         0.00010000
        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  
         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      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
         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
         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
      200
        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  
  
 
 
        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 
   
  
  
          0.91781769       0.53815211       0.06575307 
          0.84668231       0.30792296       0.38659872 
          0.11885863       0.45912161       0.15985017 
          0.13124634       0.31028524       0.31008649 
          0.80442022       0.33655416       0.00950257 
          0.93721779       0.46028494       0.50711460 
          0.08316581       0.34265707       0.10327585 
          0.15659085       0.42679637       0.36609363 
          0.97332215       0.57707393       0.57177722 
          0.76237761       0.25725914       0.84651798 
          0.19812798       0.55319790       0.72519761 
          0.00049199       0.22949525       0.71399227 
          0.90603934       0.34526400       0.58521054 
          0.84704352       0.44671204       0.92389657 
          0.16362552       0.34194775       0.70681737 
          0.11666965       0.44834234       0.81477842 
          0.42160505       0.45428126       0.11529510 
          0.32758766       0.23547799       0.42622674 
          0.70137523       0.48287859       0.17456704 
          0.56235198       0.28678654       0.32680823 
          0.32516116       0.31551380       0.97997246 
          0.43552875       0.42709502       0.45418122 
          0.54191315       0.33887026       0.12960519 
          0.71881189       0.42318350       0.36241918 
          0.42408025       0.50741733       0.60512210 
          0.26874879       0.23884684       0.82010657 
          0.70829232       0.56709278       0.67663354 
          0.53889059       0.21890584       0.71120373 
          0.39611467       0.32689171       0.56715138 
          0.37907718       0.42735312       0.91062606 
          0.65143453       0.33954910       0.69671692 
          0.60999549       0.45041424       0.77543339 
          0.55471280       0.57364819       0.56648012 
          0.63672622       0.61643966       0.79408632 
          0.34953535       0.59296942       0.78490400 
          0.67542315       0.60886402       0.87936807 
  
 
 
  
      10.30   10.32
      12.50   12.52
   
         27.86983208 
       9490.13441351 
     -13157.71874028 
       -235.70074398 
       3513.49417245 
      -2953.91778466 
          0.00171692 
       -206.60999440 
       4187.58753671 
        665.14040836 
        665.13869145 
        665.13983606 
   
  
  
      12.78   12.80
      12.78   12.80
   
        -85.04946886 
        -85.02720513 
        -85.04204761 
   
  
  
      12.47   12.49
      12.47   12.49
   
       -175.20313099 
       -175.17380940 
       -175.19335713 
   
  
  
      12.66   12.67
      12.66   12.68
   
       -178.43573201 
       -178.40315475 
       -178.42487293 
   
  
  
      13.09   13.11
      13.35   13.37
   
       -178.56797195 
       -178.53528166 
       -178.55707519 
   
  
  
      10.94   10.99
      12.60   12.66
   
       -148.10402590 
       -148.08646254 
       -148.09817145 
   
  
  
      11.44   11.48
      12.89   12.93
   
       -149.76146920 
       -149.75220337 
       -149.75838059 
   
  
  
      12.76   12.81
      14.12   14.17
   
       -150.86685448 
       -150.86233154 
       -150.86534683 
   
  
  
      11.23   11.28
      12.44   12.49
   
       -156.97336110 
       -156.95817014 
       -156.96829744 
   
  
  
      11.91   11.96
      12.92   12.98
   
       -160.86934867 
       -160.84399396 
       -160.86089710 
   
  
  
      11.35   11.42
      12.42   12.48
   
       -170.72052523 
       -170.72556420 
       -170.72220489 
   
  
  
      10.96   11.02
      11.93   11.99
   
       -177.11487898 
       -177.15163938 
       -177.12713245 
   
  
  
      11.39   11.45
      12.45   12.52
   
       -180.78106538 
       -180.81481515 
       -180.79231531 
   
  
  
      11.73   11.80
      12.73   12.80
   
       -181.80177035 
       -181.83501875 
       -181.81285315 
   
  
  
      11.31   11.36
      12.29   12.35
   
       -182.26425746 
       -182.29731517 
       -182.27527670 
   
  
  
      11.20   11.28
      12.19   12.27
   
       -182.59669986 
       -182.62976861 
       -182.60772278 
   
  
  
      12.78   12.83
      13.76   13.82
   
       -182.72207801 
       -182.75511149 
       -182.73308917