vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  22:39:07 
 
 
  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 
    
   
   
           0.93436841       0.53740689       0.07402200 
           0.85019145       0.30961863       0.38936042 
           0.12831447       0.45649084       0.17126536 
           0.14350061       0.31057287       0.32483181 
           0.81656152       0.32494769       0.03293518 
           0.94828214       0.45694409       0.50948849 
           0.09534461       0.33818361       0.11839188 
           0.17701369       0.42708757       0.37583443 
           0.90092851       0.57622700       0.56954707 
           0.77267431       0.25165877       0.85890043 
           0.12113275       0.51765096       0.67089792 
           0.00959136       0.22526759       0.72388704 
           0.91357278       0.34277820       0.58982560 
           0.86192550       0.43554373       0.95429070 
           0.16982337       0.33691910       0.71281164 
           0.11401473       0.43670409       0.82823424 
           0.43231261       0.45211844       0.12308444 
           0.33527755       0.23733676       0.44342066 
           0.71253496       0.48544013       0.18188342 
           0.56530925       0.28471555       0.33653553 
           0.33078402       0.31484119       0.98776401 
           0.44917755       0.44026282       0.47270682 
           0.54639202       0.33645554       0.14040910 
           0.72319321       0.42458957       0.36808571 
           0.40908911       0.54021227       0.58862386 
           0.27962724       0.23697123       0.82665526 
           0.66565793       0.54473165       0.70742851 
           0.55146186       0.21412449       0.72107883 
           0.40839363       0.33450528       0.57543447 
           0.38742792       0.42689542       0.91646166 
           0.66396584       0.33410505       0.70571434 
           0.64221237       0.43869215       0.80635582 
           0.36732517       0.61400580       0.49894298 
           0.65131736       0.60414555       0.81595851 
           0.36709174       0.65666286       0.55574061 
           0.74527183       0.60873262       0.87656162 
   
  
  
           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 
         0.00000000       1.00000000       0.00000000 
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         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
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          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
      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
         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      0.73000000      0.32000000
      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
         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
        27.21602676
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
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        -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 
   
  
  
          0.93436841       0.53740689       0.07402200 
          0.85019145       0.30961863       0.38936042 
          0.12831447       0.45649084       0.17126536 
          0.14350061       0.31057287       0.32483181 
          0.81656152       0.32494769       0.03293518 
          0.94828214       0.45694409       0.50948849 
          0.09534461       0.33818361       0.11839188 
          0.17701369       0.42708757       0.37583443 
          0.90092851       0.57622700       0.56954707 
          0.77267431       0.25165877       0.85890043 
          0.12113275       0.51765096       0.67089792 
          0.00959136       0.22526759       0.72388704 
          0.91357278       0.34277820       0.58982560 
          0.86192550       0.43554373       0.95429070 
          0.16982337       0.33691910       0.71281164 
          0.11401473       0.43670409       0.82823424 
          0.43231261       0.45211844       0.12308444 
          0.33527755       0.23733676       0.44342066 
          0.71253496       0.48544013       0.18188342 
          0.56530925       0.28471555       0.33653553 
          0.33078402       0.31484119       0.98776401 
          0.44917755       0.44026282       0.47270682 
          0.54639202       0.33645554       0.14040910 
          0.72319321       0.42458957       0.36808571 
          0.40908911       0.54021227       0.58862386 
          0.27962724       0.23697123       0.82665526 
          0.66565793       0.54473165       0.70742851 
          0.55146186       0.21412449       0.72107883 
          0.40839363       0.33450528       0.57543447 
          0.38742792       0.42689542       0.91646166 
          0.66396584       0.33410505       0.70571434 
          0.64221237       0.43869215       0.80635582 
          0.36732517       0.61400580       0.49894298 
          0.65131736       0.60414555       0.81595851 
          0.36709174       0.65666286       0.55574061 
          0.74527183       0.60873262       0.87656162 
  
 
 
  
      10.36   10.38
      12.13   12.15
   
         27.86983208 
       9090.24944424 
     -12762.33769557 
       -236.16690091 
       3513.49417245 
      -2953.91778466 
          0.00550817 
       -209.25573737 
       4187.58753671 
        657.52837515 
        657.52286698 
        657.52653909 
   
  
  
      12.80   12.82
      12.80   12.82
   
        -88.85025775 
        -88.83891492 
        -88.84647681 
   
  
  
      12.43   12.45
      12.43   12.45
   
       -175.71113997 
       -175.69784344 
       -175.70670779 
   
  
  
      12.71   12.73
      12.71   12.73
   
       -178.70874084 
       -178.69755027 
       -178.70501065 
   
  
  
      13.56   13.60
      13.97   14.02
   
       -178.83722947 
       -178.82604097 
       -178.83349997 
   
  
  
      11.26   11.31
      13.25   13.30
   
       -145.89373532 
       -145.88674728 
       -145.89140597 
   
  
  
      11.46   11.51
      12.98   13.02
   
       -149.45607109 
       -149.45649948 
       -149.45621389 
   
  
  
      12.97   13.04
      14.39   14.46
   
       -150.31622819 
       -150.32168269 
       -150.31804636 
   
  
  
      11.85   11.95
      13.01   13.12
   
       -156.76323457 
       -156.74812112 
       -156.75819675 
   
  
  
      11.48   11.52
      12.95   12.99
   
       -160.20944876 
       -160.18101771 
       -160.19997174 
   
  
  
      11.28   11.34
      12.59   12.64
   
       -169.89838706 
       -169.88787564 
       -169.89488325 
   
  
  
      11.14   11.20
      12.49   12.55
   
       -176.25710326 
       -176.29020514 
       -176.26813722 
   
  
  
      11.29   11.35
      12.59   12.65
   
       -180.25573597 
       -180.29644690 
       -180.26930628 
   
  
  
      11.67   11.74
      13.00   13.07
   
       -181.47376370 
       -181.51177254 
       -181.48643332