vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 31 
  06:55:31 
 
 
  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 
    
   
   
           0.92343331       0.52776793       0.10648331 
           0.85731582       0.23487062       0.42938210 
           0.13442369       0.45023576       0.19693047 
           0.09967541       0.28643760       0.33684684 
           0.82141056       0.33312190       0.02692259 
           0.95838665       0.42250400       0.51882622 
           0.08500006       0.33476111       0.13877450 
           0.19910866       0.40677498       0.38944218 
           0.83337155       0.54678998       0.52119924 
           0.77464187       0.24466147       0.88165646 
           0.06050780       0.51095936       0.65346984 
           0.02124973       0.20685750       0.76378925 
           0.90313293       0.31181812       0.59573699 
           0.86434843       0.44362789       0.95302036 
           0.14335024       0.32441367       0.73651463 
           0.10033800       0.43545666       0.81856107 
           0.41523558       0.46999618       0.12079497 
           0.37241681       0.28316959       0.42328979 
           0.68767370       0.47798223       0.20411291 
           0.64585959       0.31265803       0.34344110 
           0.33223411       0.32173286       0.01438587 
           0.43482951       0.43644226       0.51979989 
           0.56966838       0.35140079       0.14635952 
           0.69425668       0.43129146       0.40245046 
           0.30793863       0.55050506       0.54107291 
           0.27932011       0.23440010       0.86975089 
           0.59531214       0.51892623       0.65092236 
           0.53933328       0.20995221       0.75443478 
           0.40047001       0.32692618       0.62133972 
           0.36900206       0.43008882       0.92133700 
           0.66949916       0.32787279       0.72891600 
           0.62924031       0.43873244       0.81326193 
           0.64698538       0.68803230       0.62703379 
           0.63777704       0.69523604       0.56356679 
           0.44871312       0.58226800       0.65806545 
   
  
  
           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
      105
       -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
  
  
        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 
   
  
  
          0.92343331       0.52776793       0.10648331 
          0.85731582       0.23487062       0.42938210 
          0.13442369       0.45023576       0.19693047 
          0.09967541       0.28643760       0.33684684 
          0.82141056       0.33312190       0.02692259 
          0.95838665       0.42250400       0.51882622 
          0.08500006       0.33476111       0.13877450 
          0.19910866       0.40677498       0.38944218 
          0.83337155       0.54678998       0.52119924 
          0.77464187       0.24466147       0.88165646 
          0.06050780       0.51095936       0.65346984 
          0.02124973       0.20685750       0.76378925 
          0.90313293       0.31181812       0.59573699 
          0.86434843       0.44362789       0.95302036 
          0.14335024       0.32441367       0.73651463 
          0.10033800       0.43545666       0.81856107 
          0.41523558       0.46999618       0.12079497 
          0.37241681       0.28316959       0.42328979 
          0.68767370       0.47798223       0.20411291 
          0.64585959       0.31265803       0.34344110 
          0.33223411       0.32173286       0.01438587 
          0.43482951       0.43644226       0.51979989 
          0.56966838       0.35140079       0.14635952 
          0.69425668       0.43129146       0.40245046 
          0.30793863       0.55050506       0.54107291 
          0.27932011       0.23440010       0.86975089 
          0.59531214       0.51892623       0.65092236 
          0.53933328       0.20995221       0.75443478 
          0.40047001       0.32692618       0.62133972 
          0.36900206       0.43008882       0.92133700 
          0.66949916       0.32787279       0.72891600 
          0.62924031       0.43873244       0.81326193 
          0.64698538       0.68803230       0.62703379 
          0.63777704       0.69523604       0.56356679 
          0.44871312       0.58226800       0.65806545 
  
 
 
  
      12.55   12.57
      14.46   14.48
   
         24.76344702 
       9037.54529238 
     -12318.59519939 
       -264.07593522 
       3167.08814863 
      -2605.71786812 
         -0.00999411 
       -196.71889880 
       3755.32434067 
        599.60333306 
        599.61332718 
        599.60666443 
   
  
  
      15.59   15.60
      15.59   15.60
   
        -88.44388915 
        -88.44062070 
        -88.44279966 
   
  
  
      14.80   14.82
      14.80   14.82
   
       -161.96414488 
       -161.94609075 
       -161.95812683 
   
  
  
      15.37   15.40
      15.37   15.40
   
       -165.03553589 
       -165.01628297 
       -165.02911825 
   
  
  
      16.15   16.20
      16.33   16.38
   
       -165.19009283 
       -165.17078799 
       -165.18365788 
   
  
  
      14.90   14.95
      16.05   16.10
   
      -2344.02565211 
      -2344.00428303 
      -2344.01852908 
   
  
  
      14.36   14.39
      15.25   15.28
   
      -2903.84247117 
      -2903.83321747 
      -2903.83938660 
   
  
  
      15.05   15.09
      16.00   16.04
   
       -138.41196446 
       -138.38968777 
       -138.40453889 
   
  
  
      13.59   13.63
      14.49   14.54
   
       -132.46045236 
       -132.44110372 
       -132.45400281 
   
  
  
      14.86   14.91
      15.84   15.89
   
       -137.38099218 
       -137.36403095 
       -137.37533843 
   
  
  
      14.63   14.68
      15.55   15.60
   
       -146.28351991 
       -146.26115513 
       -146.27606498 
   
  
  
      14.15   14.20
      15.02   15.06
   
       -151.84317832 
       -151.81998633 
       -151.83544765 
   
  
  
      13.52   13.57
      14.39   14.44
   
       -156.50043968 
       -156.49981939 
       -156.50023292 
   
  
  
      13.34   13.37
      14.25   14.29
   
       -162.95296182 
       -162.95890509 
       -162.95494291 
   
  
  
      14.11   14.16
      15.03   15.08
   
       -170.41825724 
       -170.44890885 
       -170.42847444 
   
  
  
      13.74   13.79
      14.81   14.87
   
       -173.38657041 
       -173.41872581 
       -173.39728888 
   
  
  
      12.66   12.71
      13.59   13.64
   
       -168.82111262 
       -168.84899590 
       -168.83040704 
   
  
  
      13.38   13.43
      14.41   14.46
   
       -166.40553837 
       -166.37530541 
       -166.39546072 
   
  
  
      14.20   14.27
      15.28   15.34
   
       -172.05667399 
       -172.08380186 
       -172.06571661 
   
  
  
      14.57   14.60
      15.73   15.76
   
       -179.35846001 
       -179.38515038 
       -179.36735680 
   
  
  
      16.31   16.37
      17.41   17.47
   
       -186.65269483 
       -186.63998589 
       -186.64845852 
   
  
  
      13.04   13.09
      13.95   14.00
   
       -172.94164079 
       -172.96829613 
       -172.95052591 
   
  
  
      13.79   13.83
      14.82   14.86
   
       -177.16191340 
       -177.18850951 
       -177.17077877 
   
  
  
      15.80   15.87
      17.13   17.20
   
       -273.75617460 
       -273.74975902 
       -273.75403607 
   
  
  
      13.40   13.44
      14.42   14.46
   
       -165.57121587 
       -165.54618016 
       -165.56287063 
   
  
  
      13.72   13.76
      14.69   14.74
   
       -171.04587572 
       -171.07221398 
       -171.05465514 
   
  
  
      13.72   13.77
      14.64   14.69
   
       -174.66026912 
       -174.68657103 
       -174.66903642 
   
  
  
      13.89   13.94
      14.82   14.87
   
       -173.95594276 
       -173.98223989 
       -173.96470847