vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  14:20:27 
 
 
  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      0.32000000      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 
    
   
   
           0.92810692       0.52781265       0.10768239 
           0.85266315       0.23333299       0.42846127 
           0.13546186       0.44845733       0.19564225 
           0.09533295       0.28363501       0.33398369 
           0.81883009       0.33303600       0.02655428 
           0.95726414       0.42165395       0.51841153 
           0.08256970       0.33363651       0.13732265 
           0.19867113       0.40684167       0.38991648 
           0.83230516       0.54569299       0.52112768 
           0.77223794       0.24403424       0.88234411 
           0.06120921       0.51070408       0.65270822 
           0.01608655       0.20569978       0.76235475 
           0.90237289       0.31061428       0.59370412 
           0.86426538       0.44379223       0.95445873 
           0.13960731       0.32358001       0.73680748 
           0.09896526       0.43480877       0.81887882 
           0.42037327       0.46342079       0.12130455 
           0.36589848       0.28944854       0.42189733 
           0.68875045       0.48208051       0.20745589 
           0.64393384       0.31293096       0.34207275 
           0.32732281       0.31847595       0.01130979 
           0.43482464       0.43760489       0.52069123 
           0.56387705       0.34779418       0.14294161 
           0.69313597       0.42977103       0.40116753 
           0.31661139       0.55425550       0.54880268 
           0.27564969       0.23217871       0.86647387 
           0.59916426       0.51771774       0.65472848 
           0.53817374       0.20941639       0.75230121 
           0.39781196       0.32798180       0.62321370 
           0.36850444       0.42737759       0.92029193 
           0.66979618       0.32653064       0.72788267 
           0.63037735       0.43702999       0.81418024 
           0.65392677       0.69758745       0.62494856 
           0.65965909       0.70915598       0.56088523 
           0.45171923       0.58058100       0.66898447 
   
  
  
           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
      104
       -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
   
   
         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
     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
         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
  
  
        1
        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 
   
  
  
          0.92810692       0.52781265       0.10768239 
          0.85266315       0.23333299       0.42846127 
          0.13546186       0.44845733       0.19564225 
          0.09533295       0.28363501       0.33398369 
          0.81883009       0.33303600       0.02655428 
          0.95726414       0.42165395       0.51841153 
          0.08256970       0.33363651       0.13732265 
          0.19867113       0.40684167       0.38991648 
          0.83230516       0.54569299       0.52112768 
          0.77223794       0.24403424       0.88234411 
          0.06120921       0.51070408       0.65270822 
          0.01608655       0.20569978       0.76235475 
          0.90237289       0.31061428       0.59370412 
          0.86426538       0.44379223       0.95445873 
          0.13960731       0.32358001       0.73680748 
          0.09896526       0.43480877       0.81887882 
          0.42037327       0.46342079       0.12130455 
          0.36589848       0.28944854       0.42189733 
          0.68875045       0.48208051       0.20745589 
          0.64393384       0.31293096       0.34207275 
          0.32732281       0.31847595       0.01130979 
          0.43482464       0.43760489       0.52069123 
          0.56387705       0.34779418       0.14294161 
          0.69313597       0.42977103       0.40116753 
          0.31661139       0.55425550       0.54880268 
          0.27564969       0.23217871       0.86647387 
          0.59916426       0.51771774       0.65472848 
          0.53817374       0.20941639       0.75230121 
          0.39781196       0.32798180       0.62321370 
          0.36850444       0.42737759       0.92029193 
          0.66979618       0.32653064       0.72788267 
          0.63037735       0.43702999       0.81418024 
          0.65392677       0.69758745       0.62494856 
          0.65965909       0.70915598       0.56088523 
          0.45171923       0.58058100       0.66898447 
  
 
 
  
      14.64   14.83
      15.36   15.55
   
         24.76344702 
       8996.54197472 
     -12277.55466984 
       -264.13539258 
       3167.08814863 
      -2605.71786812 
          0.00374881 
       -186.93391144 
       3755.32434067 
        609.37981787 
        609.37606906 
        609.37856826 
   
  
  
      18.39   18.39
      18.39   18.39
   
        -86.86565602 
        -86.83508633 
        -86.85546612 
   
  
  
      17.50   17.50
      17.50   17.50
   
       -162.31390261 
       -162.28861624 
       -162.30547382 
   
  
  
      18.32   18.32
      18.33   18.32
   
       -165.39725151 
       -165.37004938 
       -165.38818414 
   
  
  
      19.00   19.00
      19.17   19.17
   
       -165.54131775 
       -165.51399816 
       -165.53221122 
   
  
  
      18.45   18.45
      19.29   19.29
   
      -9488.62401070 
      -9488.62636789 
      -9488.62479643 
   
  
  
      16.12   16.12
      16.94   16.94
   
       -125.13585211 
       -125.14910563 
       -125.14026995 
   
  
  
      17.00   17.00
      17.87   17.87
   
       -136.44957804 
       -136.44013082 
       -136.44642897 
   
  
  
      16.67   16.66
      17.50   17.50
   
       -137.52213463 
       -137.49575027 
       -137.51333985 
   
  
  
      22.91   22.91
      23.75   23.74
   
      -7860.96224356 
      -7860.96294232 
      -7860.96247648 
   
  
  
      16.71   16.71
      17.54   17.54
   
       -139.20986216 
       -139.20598414 
       -139.20856949 
   
  
  
      18.16   18.16
      19.00   19.00
   
       -145.57411364 
       -145.57090875 
       -145.57304534