vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  23:42:27 
 
 
  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      0.73000000      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 
    
   
   
           0.91334703       0.53600658       0.06473622 
           0.84481221       0.30896793       0.38587924 
           0.11724882       0.45873435       0.16119684 
           0.13119515       0.31191184       0.31254863 
           0.80345643       0.33256237       0.01305416 
           0.93384943       0.45802885       0.50682480 
           0.08402505       0.34140169       0.10485990 
           0.15620955       0.42889896       0.36799474 
           0.94334029       0.57448569       0.56004089 
           0.76206564       0.25483464       0.84721790 
           0.14995223       0.54745297       0.72095011 
           0.00121308       0.22655234       0.71391170 
           0.90529931       0.34425465       0.58554430 
           0.84744676       0.44256194       0.92847373 
           0.16277908       0.33835184       0.70712828 
           0.10831416       0.44086486       0.81528417 
           0.41872901       0.45495993       0.11377039 
           0.32831600       0.23859694       0.42994769 
           0.69653285       0.48277457       0.17733517 
           0.56170396       0.28857563       0.32646642 
           0.32387691       0.31449955       0.98023961 
           0.43110214       0.43584705       0.46344618 
           0.54023074       0.33895148       0.12994351 
           0.70819073       0.42388760       0.36650125 
           0.39206341       0.52005285       0.60948627 
           0.26866771       0.23637139       0.82168687 
           0.69311864       0.56192111       0.68004360 
           0.53874508       0.21668124       0.71275036 
           0.39402488       0.33146943       0.56644141 
           0.37432400       0.42740681       0.90967721 
           0.64947462       0.33764230       0.69453889 
           0.61185532       0.44750470       0.78048106 
           0.52559140       0.58859244       0.58309037 
           0.67712613       0.60819523       0.80881689 
           0.44663300       0.61338642       0.72226821 
           0.74620282       0.60035783       0.88079338 
   
  
  
           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 
  
 
 
  
          3        2        2 
         0.00000000       0.00000000       0.00000000 
         0.33333333       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.33333333       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.33333333       0.50000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.33333333       0.00000000       0.50000000 
          0.00000000       0.50000000       0.50000000 
          0.33333333       0.50000000       0.50000000 
  
  
          0.08333333 
          0.16666667 
          0.08333333 
          0.16666667 
          0.08333333 
          0.16666667 
          0.08333333 
          0.16666667 
  
 
 
  
   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
        -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  
  
 
 
        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 
   
  
  
          0.91334703       0.53600658       0.06473622 
          0.84481221       0.30896793       0.38587924 
          0.11724882       0.45873435       0.16119684 
          0.13119515       0.31191184       0.31254863 
          0.80345643       0.33256237       0.01305416 
          0.93384943       0.45802885       0.50682480 
          0.08402505       0.34140169       0.10485990 
          0.15620955       0.42889896       0.36799474 
          0.94334029       0.57448569       0.56004089 
          0.76206564       0.25483464       0.84721790 
          0.14995223       0.54745297       0.72095011 
          0.00121308       0.22655234       0.71391170 
          0.90529931       0.34425465       0.58554430 
          0.84744676       0.44256194       0.92847373 
          0.16277908       0.33835184       0.70712828 
          0.10831416       0.44086486       0.81528417 
          0.41872901       0.45495993       0.11377039 
          0.32831600       0.23859694       0.42994769 
          0.69653285       0.48277457       0.17733517 
          0.56170396       0.28857563       0.32646642 
          0.32387691       0.31449955       0.98023961 
          0.43110214       0.43584705       0.46344618 
          0.54023074       0.33895148       0.12994351 
          0.70819073       0.42388760       0.36650125 
          0.39206341       0.52005285       0.60948627 
          0.26866771       0.23637139       0.82168687 
          0.69311864       0.56192111       0.68004360 
          0.53874508       0.21668124       0.71275036 
          0.39402488       0.33146943       0.56644141 
          0.37432400       0.42740681       0.90967721 
          0.64947462       0.33764230       0.69453889 
          0.61185532       0.44750470       0.78048106 
          0.52559140       0.58859244       0.58309037 
          0.67712613       0.60819523       0.80881689 
          0.44663300       0.61338642       0.72226821 
          0.74620282       0.60035783       0.88079338 
  
 
 
  
      20.69   20.74
      22.49   22.54
   
         27.86983208 
       9442.81100583 
     -13111.00438617 
       -235.64542735 
       3513.49417245 
      -2953.91778466 
         -0.00057498 
       -200.64175560 
       4187.58753671 
        670.55261832 
        670.55319330 
        670.55280998 
   
  
  
      25.91   25.95
      25.91   25.95
   
        -83.16508510 
        -83.15458232 
        -83.16158417 
   
  
  
      25.31   25.41
      25.31   25.41
   
       -173.20352558 
       -173.20152782 
       -173.20285966 
   
  
  
      25.21   25.30
      25.21   25.30
   
       -176.61724801 
       -176.61671339 
       -176.61706980 
   
  
  
      26.99   27.15
      27.21   27.37
   
       -176.77712581 
       -176.77663512 
       -176.77696225 
   
  
  
      23.01   23.11
      24.24   24.34
   
       -147.54680233 
       -147.51486960 
       -147.53615809 
   
  
  
      23.90   23.98
      25.10   25.18
   
       -146.85127190 
       -146.84701476 
       -146.84985285 
   
  
  
      23.50   23.60
      24.75   24.85
   
       -149.53301450 
       -149.52605712 
       -149.53069537 
   
  
  
      26.31   26.42
      27.66   27.78
   
       -216.81893037 
       -216.82241838 
       -216.82009304 
   
  
  
      23.16   23.28
      24.25   24.36
   
       -142.32334991 
       -142.33046900 
       -142.32572294 
   
  
  
      25.19   25.30
      26.25   26.36
   
       -154.74725807 
       -154.74279043 
       -154.74576886 
   
  
  
      24.18   24.28
      25.24   25.34
   
       -162.24447486 
       -162.25497283 
       -162.24797418 
   
  
  
      24.20   24.30
      25.30   25.40
   
       -169.24209250 
       -169.27173218 
       -169.25197239 
   
  
  
      23.63   23.75
      24.70   24.82
   
       -175.40584502 
       -175.38646560 
       -175.39938522 
   
  
  
      25.32   25.42
      26.40   26.49
   
       -176.87358890 
       -176.89301746 
       -176.88006508 
   
  
  
      23.09   23.18
      24.13   24.22
   
       -177.84370412 
       -177.88544935 
       -177.85761920 
   
  
  
      22.86   22.94
      23.90   23.98
   
       -179.13297543 
       -179.16410761 
       -179.14335283 
   
  
  
      21.72   21.84
      22.85   22.97
   
       -178.97904310 
       -179.01110354 
       -178.98972991 
   
  
  
      22.56   22.64
      24.19   24.27
   
       -179.66797048 
       -179.69958475 
       -179.67850857 
   
  
  
      23.34   23.42
      24.38   24.45
   
       -179.81091820 
       -179.84171077 
       -179.82118239 
   
  
  
      24.00   24.10
      25.03   25.13
   
       -179.93547989 
       -179.96608626 
       -179.94568201 
   
  
  
      22.78   22.87
      23.92   24.01
   
       -180.07677826 
       -180.10733935 
       -180.08696529 
   
  
  
      24.15   24.25
      25.19   25.29
   
       -180.20693721 
       -180.23749611 
       -180.21712351 
   
  
  
      24.10   24.20
      25.25   25.36
   
       -180.27886919 
       -180.30930508 
       -180.28901449 
   
  
  
      25.00   25.07
      26.06   26.13
   
       -180.29862043 
       -180.32899819 
       -180.30874635 
   
  
  
      24.30   24.44
      25.43   25.57
   
       -180.32191262 
       -180.35223337 
       -180.33201954 
   
  
  
      24.28   24.38
      25.44   25.53
   
       -180.27912486 
       -180.30947839 
       -180.28924270 
   
  
  
      24.46   24.59
      25.89   26.03
   
       -180.31106338 
       -180.34139109 
       -180.32117262 
   
  
  
      22.52   22.64
      24.14   24.26
   
       -180.04533545 
       -180.07592562 
       -180.05553217 
   
  
  
      17.46   17.63
      19.17   19.34
   
       -180.32364499 
       -180.35394465 
       -180.33374488 
   
  
  
      16.17   16.27
      17.32   17.41
   
       -180.30152020 
       -180.33183255 
       -180.31162432 
   
  
  
      14.97   15.09
      16.30   16.41
   
       -179.67413659 
       -179.70486343 
       -179.68437887 
   
  
  
      11.45   11.55
      12.50   12.61
   
       -180.29436676 
       -180.32468721 
       -180.30447358 
   
  
  
       8.67    8.77
      10.13   10.23
   
       -180.33865751 
       -180.36892903 
       -180.34874802 
   
  
  
       4.86    4.96
       5.97    6.07
   
       -178.86540925 
       -178.89579652 
       -178.87553834