vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  11:24:31 
 
 
  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 
    
   
   
           0.92977893       0.52792941       0.10775602 
           0.85133598       0.23305574       0.42818541 
           0.13583852       0.44808591       0.19610819 
           0.09418536       0.28314016       0.33379147 
           0.81820300       0.33298475       0.02658517 
           0.95741718       0.42152257       0.51857549 
           0.08208218       0.33340863       0.13727933 
           0.19898103       0.40674902       0.39040780 
           0.83247406       0.54519816       0.52094542 
           0.77189070       0.24384828       0.88242710 
           0.06169162       0.51077654       0.65275106 
           0.01507311       0.20546903       0.76187154 
           0.90202111       0.31036117       0.59331273 
           0.86410194       0.44377312       0.95491870 
           0.13868109       0.32335273       0.73686428 
           0.09824165       0.43462539       0.81896990 
           0.42172872       0.46155811       0.12178398 
           0.36493344       0.29077691       0.42135878 
           0.68946848       0.48306074       0.20817424 
           0.64360411       0.31291646       0.34129640 
           0.32660735       0.31768316       0.01085515 
           0.43442018       0.43785374       0.52084805 
           0.56292014       0.34730645       0.14231547 
           0.69297853       0.42914217       0.40080790 
           0.31771481       0.55554412       0.54999544 
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           0.59889061       0.51648235       0.65377861 
           0.53827360       0.20916062       0.75189114 
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           0.63073482       0.43662711       0.81430831 
           0.65072903       0.70071105       0.62422985 
           0.66643136       0.71328894       0.56071058 
           0.45310154       0.57958858       0.67163266 
   
  
  
           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 
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         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          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
      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
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         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
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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  
  
 
 
        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 
   
  
  
          0.92977893       0.52792941       0.10775602 
          0.85133598       0.23305574       0.42818541 
          0.13583852       0.44808591       0.19610819 
          0.09418536       0.28314016       0.33379147 
          0.81820300       0.33298475       0.02658517 
          0.95741718       0.42152257       0.51857549 
          0.08208218       0.33340863       0.13727933 
          0.19898103       0.40674902       0.39040780 
          0.83247406       0.54519816       0.52094542 
          0.77189070       0.24384828       0.88242710 
          0.06169162       0.51077654       0.65275106 
          0.01507311       0.20546903       0.76187154 
          0.90202111       0.31036117       0.59331273 
          0.86410194       0.44377312       0.95491870 
          0.13868109       0.32335273       0.73686428 
          0.09824165       0.43462539       0.81896990 
          0.42172872       0.46155811       0.12178398 
          0.36493344       0.29077691       0.42135878 
          0.68946848       0.48306074       0.20817424 
          0.64360411       0.31291646       0.34129640 
          0.32660735       0.31768316       0.01085515 
          0.43442018       0.43785374       0.52084805 
          0.56292014       0.34730645       0.14231547 
          0.69297853       0.42914217       0.40080790 
          0.31771481       0.55554412       0.54999544 
          0.27515233       0.23157390       0.86565509 
          0.59889061       0.51648235       0.65377861 
          0.53827360       0.20916062       0.75189114 
          0.39741368       0.32811355       0.62365704 
          0.36831298       0.42673819       0.91997386 
          0.67004719       0.32626541       0.72787006 
          0.63073482       0.43662711       0.81430831 
          0.65072903       0.70071105       0.62422985 
          0.66643136       0.71328894       0.56071058 
          0.45310154       0.57958858       0.67163266 
  
 
 
  
      12.47   12.49
      13.22   13.24
   
         24.76344702 
       8992.10607729 
     -12273.26914561 
       -264.14812971 
       3167.08814863 
      -2605.71786812 
         -0.00740133 
       -197.14308402 
       3755.32434067 
        598.99638483 
        599.00378616 
        598.99885194 
   
  
  
      15.51   15.52
      15.51   15.52
   
        -88.96737435 
        -88.96628488 
        -88.96701119 
   
  
  
      14.94   14.98
      14.94   14.98
   
       -162.53305407 
       -162.50882952 
       -162.52497922 
   
  
  
      15.30   15.34
      15.30   15.35
   
       -165.51637938 
       -165.49046109 
       -165.50773995 
   
  
  
      15.89   15.94
      16.06   16.11
   
       -165.66300507 
       -165.63705216 
       -165.65435410 
   
  
  
      16.95   16.99
      17.84   17.88
   
     -25801.94506595 
     -25801.95941535 
     -25801.94984908 
   
  
  
      13.47   13.50
      14.47   14.51
   
       -101.78163360 
       -101.77227221 
       -101.77851313 
   
  
  
      15.26   15.30
      16.23   16.27
   
       -141.55655640 
       -141.55997494 
       -141.55769591 
   
  
  
      16.70   16.76
      17.94   17.99
   
       -318.58809905 
       -318.58976788 
       -318.58865533 
   
  
  
      15.50   15.54
      16.48   16.52
   
       -138.23913605 
       -138.21590574 
       -138.23139261 
   
  
  
      13.55   13.61
      14.48   14.54
   
       -140.78546873 
       -140.76151217 
       -140.77748321 
   
  
  
      15.35   15.39
      16.27   16.32
   
       -145.97258422 
       -145.94983479 
       -145.96500108 
   
  
  
      14.07   14.14
      14.99   15.05
   
       -149.39969274 
       -149.39316734 
       -149.39751761 
   
  
  
      13.82   13.84
      14.93   14.95
   
       -158.02596314 
       -158.03476468 
       -158.02889699 
   
  
  
      13.71   13.74
      14.59   14.62
   
       -163.77135991 
       -163.77470683 
       -163.77247555 
   
  
  
      13.63   13.68
      14.59   14.64
   
       -169.26316657 
       -169.28959535 
       -169.27197616 
   
  
  
      13.90   13.94
      14.95   14.99
   
       -172.01020548 
       -172.03496383 
       -172.01845826 
   
  
  
      13.92   13.96
      14.85   14.89
   
       -173.02161905 
       -173.04692711 
       -173.03005507 
   
  
  
      14.01   14.05
      14.94   14.97
   
       -173.56697652 
       -173.59244107 
       -173.57546470 
   
  
  
      14.27   14.32
      15.28   15.32
   
       -173.58001930 
       -173.60529868 
       -173.58844576 
   
  
  
      12.91   12.95
      13.83   13.87
   
       -168.04950498 
       -168.02807494 
       -168.04236163 
   
  
  
      14.53   14.57
      15.44   15.48
   
       -173.36717600 
       -173.39229704 
       -173.37554968 
   
  
  
      13.62   13.66
      14.50   14.55
   
       -173.48536112 
       -173.51062495 
       -173.49378240 
   
  
  
      13.66   13.70
      14.59   14.64
   
       -173.84133615 
       -173.86660121 
       -173.84975784 
   
  
  
      14.46   14.49
      15.34   15.37
   
       -174.15922242 
       -174.18452653 
       -174.16765712 
   
  
  
      13.99   14.03
      14.93   14.97
   
       -173.88349944 
       -173.90881336 
       -173.89193742