vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 30 
  12:31:13 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.32000000      0.73000000
  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 
    
   
   
           0.15555539       0.61503086       0.25334541 
           0.59403627       0.92930642       0.41555603 
           0.47741554       0.40251095       0.76401952 
           0.98706599       0.83802602       0.93937169 
           0.37509944       0.40582538       0.81896068 
           0.20171314       0.02486933       0.93785800 
           0.62732162       0.23227332       0.91543548 
           0.83734482       0.56927613       0.11579603 
           0.03011466       0.67130836       0.24077445 
           0.77409047       0.56631131       0.97477420 
           0.32870498       0.97354722       0.57413009 
           0.68062327       0.11724203       0.93339406 
           0.23024429       0.81887613       0.40769828 
           0.20677133       0.93414516       0.29381476 
           0.18943564       0.75787651       0.39445690 
           0.91506899       0.72615936       0.46778382 
           0.99155432       0.82836775       0.04200821 
           0.76102119       0.85410540       0.08247195 
           0.65377160       0.20009604       0.74607486 
           0.88025017       0.51097246       0.25844201 
           0.34313211       0.32015789       0.88468339 
           0.35154242       0.94130550       0.29313243 
           0.22528756       0.99625204       0.26824070 
           0.47320944       0.15044802       0.31854117 
           0.35023640       0.13780963       0.17559387 
           0.53805164       0.28409191       0.27106172 
           0.05017315       0.51752585       0.37207829 
           0.04774495       0.49998871       0.24554917 
           0.96665114       0.29108388       0.39277945 
           0.98121166       0.25012054       0.75948367 
           0.06466317       0.36917588       0.65474426 
           0.01780627       0.83999388       0.13557691 
           0.97702626       0.76204793       0.58869037 
           0.14261763       0.42391843       0.11131383 
           0.71260184       0.39925061       0.52932084 
   
  
  
           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 
  
 
 
  
          2        1        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       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 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          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
       87
       -1
       -1
       136.00000000
        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
   
   
         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
     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
           0.00000003
           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
         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      0.32000000      0.73000000
      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      1.00000000     16.00000000
         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
         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
        27.99362752
         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
      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  
  
 
 
        35 
         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
    H    2
    H    2
    O    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
   
  
 
 
  
   
           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 
   
  
  
          0.15555539       0.61503086       0.25334541 
          0.59403627       0.92930642       0.41555603 
          0.47741554       0.40251095       0.76401952 
          0.98706599       0.83802602       0.93937169 
          0.37509944       0.40582538       0.81896068 
          0.20171314       0.02486933       0.93785800 
          0.62732162       0.23227332       0.91543548 
          0.83734482       0.56927613       0.11579603 
          0.03011466       0.67130836       0.24077445 
          0.77409047       0.56631131       0.97477420 
          0.32870498       0.97354722       0.57413009 
          0.68062327       0.11724203       0.93339406 
          0.23024429       0.81887613       0.40769828 
          0.20677133       0.93414516       0.29381476 
          0.18943564       0.75787651       0.39445690 
          0.91506899       0.72615936       0.46778382 
          0.99155432       0.82836775       0.04200821 
          0.76102119       0.85410540       0.08247195 
          0.65377160       0.20009604       0.74607486 
          0.88025017       0.51097246       0.25844201 
          0.34313211       0.32015789       0.88468339 
          0.35154242       0.94130550       0.29313243 
          0.22528756       0.99625204       0.26824070 
          0.47320944       0.15044802       0.31854117 
          0.35023640       0.13780963       0.17559387 
          0.53805164       0.28409191       0.27106172 
          0.05017315       0.51752585       0.37207829 
          0.04774495       0.49998871       0.24554917 
          0.96665114       0.29108388       0.39277945 
          0.98121166       0.25012054       0.75948367 
          0.06466317       0.36917588       0.65474426 
          0.01780627       0.83999388       0.13557691 
          0.97702626       0.76204793       0.58869037 
          0.14261763       0.42391843       0.11131383 
          0.71260184       0.39925061       0.52932084 
  
 
 
  
       5.20    5.21
       6.07    6.08
   
         24.76344702 
       -733.28964140 
      -2130.71456669 
       -283.27486354 
       3170.77911944 
      -2609.61052727 
         -0.02417309 
       -240.22578465 
       3755.32434067 
        953.72735049 
        953.75152358 
        953.73540819 
   
  
  
       6.40    6.41
       6.40    6.41
   
        250.39075146 
        250.40566218 
        250.39572170 
   
  
  
       7.55    7.56
       7.55    7.56
   
        116.02052180 
        116.04336320 
        116.02813560 
   
  
  
       6.79    6.79
       6.79    6.80
   
        108.04647162 
        108.09519778 
        108.06271367 
   
  
  
       7.11    7.12
       7.20    7.21
   
        107.68223417 
        107.73323824 
        107.69923553 
   
  
  
       6.82    6.83
       7.29    7.30
   
        157.05717822 
        157.06188850 
        157.05874831 
   
  
  
       6.96    6.98
       7.46    7.49
   
        166.15037874 
        166.17043526 
        166.15706425 
   
  
  
       6.61    6.63
       7.05    7.07
   
        177.81402838 
        177.80524779 
        177.81110152 
   
  
  
       6.31    6.33
       6.76    6.77
   
        183.84227773 
        183.87515012 
        183.85323519 
   
  
  
       6.57    6.59
       6.99    7.01
   
        182.24231983 
        182.24006734 
        182.24156900 
   
  
  
       6.43    6.47
       6.84    6.87
   
        185.79896713 
        185.76245599 
        185.78679675 
   
  
  
       5.84    5.86
       6.30    6.33
   
        186.17470202 
        186.22490953 
        186.19143786 
   
  
  
       6.66    6.67
       7.06    7.07
   
        186.45436853 
        186.46886744 
        186.45920150 
   
  
  
       5.87    5.89
       6.27    6.29
   
        186.52458610 
        186.56882678 
        186.53933299 
   
  
  
       5.83    5.86
       6.32    6.35
   
        186.53176952 
        186.56919426 
        186.54424443 
   
  
  
       6.49    6.51
       6.90    6.92
   
        186.53498666 
        186.58430143 
        186.55142492 
   
  
  
       6.60    6.61
       7.04    7.06
   
        186.53386105 
        186.57067267 
        186.54613159 
   
  
  
       7.39    7.40
       7.77    7.78
   
        186.53330373 
        186.57955111 
        186.54871952 
   
  
  
       3.36    3.54
       3.75    3.93
   
        186.53431016 
        186.57562632 
        186.54808221