vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  07:39:47 
 
 
  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 
    
   
   
           0.93205791       0.53050590       0.11078832 
           0.85043317       0.23453303       0.42575348 
           0.13817799       0.44965759       0.19642438 
           0.09539829       0.28359512       0.33222701 
           0.81840298       0.33581756       0.02642246 
           0.95544977       0.42317023       0.51565454 
           0.08236471       0.33526389       0.13675618 
           0.20115500       0.40870524       0.39108725 
           0.82729225       0.54792205       0.52085315 
           0.77210461       0.24628688       0.88291644 
           0.05613250       0.51191751       0.65115357 
           0.01285137       0.20736611       0.76113628 
           0.90300770       0.31189225       0.59065541 
           0.86592977       0.44690358       0.95727050 
           0.13703520       0.32575798       0.73576576 
           0.09717182       0.43728326       0.81823100 
           0.42346561       0.46237644       0.12062400 
           0.36434956       0.29398735       0.42167518 
           0.68924446       0.48679712       0.20884514 
           0.64236688       0.31447830       0.33886229 
           0.32492132       0.31976640       0.00832163 
           0.43762918       0.43878442       0.52340809 
           0.56075574       0.34826497       0.13992470 
           0.69156263       0.43079287       0.39919994 
           0.31634083       0.55444555       0.55246986 
           0.27378956       0.23383794       0.86312533 
           0.59796628       0.51898209       0.65827027 
           0.53868991       0.21268686       0.74990131 
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           0.67471748       0.32877637       0.72817144 
           0.63355966       0.43847864       0.81648208 
           0.67001362       0.66852440       0.62419260 
           0.65713853       0.68394481       0.56408250 
           0.44647472       0.57970728       0.67712902 
   
  
  
           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 
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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
        -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 
   
  
  
          0.93205791       0.53050590       0.11078832 
          0.85043317       0.23453303       0.42575348 
          0.13817799       0.44965759       0.19642438 
          0.09539829       0.28359512       0.33222701 
          0.81840298       0.33581756       0.02642246 
          0.95544977       0.42317023       0.51565454 
          0.08236471       0.33526389       0.13675618 
          0.20115500       0.40870524       0.39108725 
          0.82729225       0.54792205       0.52085315 
          0.77210461       0.24628688       0.88291644 
          0.05613250       0.51191751       0.65115357 
          0.01285137       0.20736611       0.76113628 
          0.90300770       0.31189225       0.59065541 
          0.86592977       0.44690358       0.95727050 
          0.13703520       0.32575798       0.73576576 
          0.09717182       0.43728326       0.81823100 
          0.42346561       0.46237644       0.12062400 
          0.36434956       0.29398735       0.42167518 
          0.68924446       0.48679712       0.20884514 
          0.64236688       0.31447830       0.33886229 
          0.32492132       0.31976640       0.00832163 
          0.43762918       0.43878442       0.52340809 
          0.56075574       0.34826497       0.13992470 
          0.69156263       0.43079287       0.39919994 
          0.31634083       0.55444555       0.55246986 
          0.27378956       0.23383794       0.86312533 
          0.59796628       0.51898209       0.65827027 
          0.53868991       0.21268686       0.74990131 
          0.39940371       0.32858178       0.62586488 
          0.36810554       0.42888038       0.91824615 
          0.67471748       0.32877637       0.72817144 
          0.63355966       0.43847864       0.81648208 
          0.67001362       0.66852440       0.62419260 
          0.65713853       0.68394481       0.56408250 
          0.44647472       0.57970728       0.67712902 
  
 
 
  
      12.51   12.53
      14.01   14.04
   
         24.76344702 
       9097.54765417 
     -12377.77072314 
       -263.93796235 
       3167.08814863 
      -2605.71786812 
         -0.01179817 
       -196.78635965 
       3755.32434067 
        600.49887906 
        600.51067724 
        600.50281179 
   
  
  
      15.72   15.74
      15.72   15.74
   
        -88.97583671 
        -88.96763574 
        -88.97310305 
   
  
  
      14.90   14.94
      14.90   14.94
   
       -162.25988353 
       -162.23537285 
       -162.25171330 
   
  
  
      15.22   15.28
      15.22   15.28
   
       -165.27571776 
       -165.25051191 
       -165.26731581 
   
  
  
      16.41   16.45
      16.63   16.68
   
       -165.42820746 
       -165.40297280 
       -165.41979591 
   
  
  
      14.85   14.91
      16.46   16.51
   
      -8117.20604326 
      -8117.21496972 
      -8117.20901874 
   
  
  
      13.33   13.37
      14.20   14.23
   
       -119.04457304 
       -119.05969550 
       -119.04961386 
   
  
  
      15.48   15.53
      16.53   16.59
   
       -137.76640512 
       -137.74720275 
       -137.76000433 
   
  
  
      18.04   18.08
      19.18   19.22
   
       -524.92172416 
       -524.93425804 
       -524.92590212 
   
  
  
      14.11   14.14
      14.91   14.95
   
       -134.14781550 
       -134.11421940 
       -134.13661680 
   
  
  
      14.57   14.62
      15.39   15.44
   
       -140.45395659 
       -140.42404468 
       -140.44398595 
   
  
  
      14.82   14.85
      15.61   15.65
   
       -146.62642358 
       -146.60256659 
       -146.61847125 
   
  
  
      14.61   14.66
      15.48   15.53
   
       -149.80319517 
       -149.79584014 
       -149.80074349 
   
  
  
      13.32   13.37
      14.17   14.22
   
       -156.54069015 
       -156.54315393 
       -156.54151141 
   
  
  
      12.53   12.57
      13.42   13.47
   
       -155.47229500 
       -155.47118661 
       -155.47192553 
   
  
  
      17.05   17.09
      17.89   17.94
   
       -178.47322009 
       -178.48124474 
       -178.47589497 
   
  
  
      12.02   12.06
      12.90   12.94
   
       -157.56094931 
       -157.58062545 
       -157.56750802 
   
  
  
      12.80   12.84
      13.69   13.74
   
       -164.72124259 
       -164.74138127 
       -164.72795549 
   
  
  
      13.32   13.37
      14.24   14.30
   
       -169.67130848 
       -169.69940175 
       -169.68067290 
   
  
  
      14.67   14.71
      15.54   15.58
   
       -175.14569822 
       -175.17082657 
       -175.15407433 
   
  
  
      13.12   13.16
      13.94   13.97
   
       -172.12129382 
       -172.14690823 
       -172.12983196 
   
  
  
      17.02   17.05
      17.88   17.91
   
      -3164.77516371 
      -3164.77824081 
      -3164.77618941 
   
  
  
      13.46   13.50
      14.33   14.37
   
       -167.67692729 
       -167.70539141 
       -167.68641533 
   
  
  
      17.23   17.26
      18.10   18.13
   
       -181.72202818 
       -181.74875728 
       -181.73093788 
   
  
  
      13.44   13.46
      14.29   14.31
   
       -173.63902980 
       -173.66572399 
       -173.64792786 
   
  
  
      16.68   16.72
      17.54   17.57
   
      -3317.69162502 
      -3317.66929233 
      -3317.68418079 
   
  
  
      13.20   13.22
      14.23   14.25
   
       -161.33823445 
       -161.34396014 
       -161.34014302 
   
  
  
      12.74   12.78
      13.65   13.68
   
       -171.73876733 
       -171.76500180 
       -171.74751215 
   
  
  
      11.00   11.05
      12.01   12.05
   
       -172.97668040 
       -173.00264507 
       -172.98533529 
   
  
  
      10.72   10.74
      11.53   11.55
   
       -176.91253553 
       -176.93848398 
       -176.92118501 
   
  
  
      11.65   11.67
      12.54   12.56
   
       -179.55615159 
       -179.58243732 
       -179.56491350 
   
  
  
      10.80   10.83
      11.67   11.69
   
       -175.95316221 
       -175.97939803 
       -175.96190748 
   
  
  
       7.55    7.57
       8.52    8.54
   
       -172.21045816 
       -172.23681049 
       -172.21924227 
   
  
  
       3.53    3.56
       4.92    4.96
   
       -173.96561135 
       -173.99199077 
       -173.97440449 
   
  
  
       3.25    3.28
       4.56    4.59
   
      -1012.81236124 
      -1012.78974625 
      -1012.80482291 
   
  
  
       2.24    2.27
       3.55    3.58
   
       -164.75554298 
       -164.74389718 
       -164.75166105 
   
  
  
       2.35    2.40
       3.68    3.73
   
       -172.04619332 
       -172.07249467 
       -172.05496044 
   
  
  
       2.32    2.35
       3.65    3.68
   
       -173.56503973 
       -173.59100032 
       -173.57369326 
   
  
  
       1.97    2.07
       3.07    3.18
   
       -176.49271183 
       -176.51880943 
       -176.50141103 
   
  
  
       1.98    2.02
       2.65    2.69
   
      -2550.08629809 
      -2550.05487669 
      -2550.07582429 
   
  
  
       1.61    1.63
       2.23    2.25
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.73    1.75
       2.36    2.39
   
       -155.96519905 
       -155.96706115 
       -155.96581975 
   
  
  
       1.66    1.70
       2.31    2.34
   
     -26196.23423764 
     -26196.20563735 
     -26196.22470421 
   
  
  
       1.76    1.78
       2.42    2.44
   
       -170.66395311 
       -170.65510771 
       -170.66100464 
   
  
  
       1.75    1.78
       2.40    2.43
   
       -175.01052848 
       -175.03417468 
       -175.01841055 
   
  
  
       2.02    2.05
       2.66    2.69
   
       -238.17795070 
       -238.16419832 
       -238.17336657 
   
  
  
       1.77    1.80
       2.41    2.44
   
       -230.40960762 
       -230.38738516 
       -230.40220013 
   
  
  
       1.65    1.67
       2.30    2.32
   
       -173.05359803 
       -173.07815716 
       -173.06178441 
   
  
  
       2.34    2.37
       2.99    3.01
   
       -758.57790912 
       -758.56521344 
       -758.57367723 
   
  
  
       1.76    1.78
       2.40    2.43
   
       -187.30366224 
       -187.29017423 
       -187.29916624 
   
  
  
       1.56    1.58
       2.19    2.22
   
       -166.03173197 
       -166.05328709 
       -166.03891701 
   
  
  
       1.72    1.75
       2.37    2.40
   
       -169.42071667 
       -169.44651555 
       -169.42931630 
   
  
  
       1.71    1.74
       2.37    2.40
   
       -175.37591867 
       -175.37583754 
       -175.37589163 
   
  
  
       1.82    1.84
       2.47    2.49
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.63    1.65
       2.28    2.31
   
       -124.55238102 
       -124.53705689 
       -124.54727297 
   
  
  
       1.74    1.76
       2.38    2.40
   
       -163.50966897 
       -163.49147198 
       -163.50360331 
   
  
  
       1.89    1.92
       2.54    2.57
   
       -178.56170143 
       -178.58719814 
       -178.57020034 
   
  
  
       1.62    1.64
       2.27    2.29
   
       -171.87856406 
       -171.90473881 
       -171.88728898 
   
  
  
       1.75    1.77
       2.41    2.43
   
       -171.88187670 
       -171.90786868 
       -171.89054070 
   
  
  
       1.66    1.71
       2.31    2.36
   
       -173.78696858 
       -173.81281615 
       -173.79558444 
   
  
  
       1.50    1.52
       2.14    2.16
   
       -165.50689294 
       -165.53748580 
       -165.51709056 
   
  
  
       1.55    1.58
       2.20    2.23
   
       -171.83900024 
       -171.86482815 
       -171.84760954 
   
  
  
       1.58    1.62
       2.23    2.27
   
       -170.89866272 
       -170.92445374 
       -170.90725972 
   
  
  
       1.62    1.65
       2.27    2.30
   
       -170.63231355 
       -170.65810296 
       -170.64091002 
   
  
  
       1.55    1.58
       2.21    2.24
   
       -173.34828831 
       -173.37405397 
       -173.35687686 
   
  
  
       1.71    1.73
       2.35    2.38
   
       -174.07632014 
       -174.10206151 
       -174.08490060 
   
  
  
       1.61    1.64
       2.26    2.28
   
       -175.14482780 
       -175.17055195 
       -175.15340252 
   
  
  
       1.81    1.83
       2.46    2.48
   
    -292312.97811694 
    -292312.98794125 
    -292312.98139171 
   
  
  
       1.80    1.83
       2.46    2.49
   
     -33993.18986488 
     -33993.21339789 
     -33993.19770921 
   
  
  
       1.77    1.79
       2.42    2.45
   
      -2474.86516867 
      -2474.84860205 
      -2474.85964647 
   
  
  
       1.80    1.82
       2.44    2.47
   
      -1355.94765768 
      -1355.92938079 
      -1355.94156538 
   
  
  
       1.85    1.88
       2.51    2.54
   
     -70608.30249685 
     -70608.29002660 
     -70608.29834010 
   
  
  
       1.77    1.81
       2.42    2.46
   
    -288208.78840427 
    -288208.77156268 
    -288208.78279040 
   
  
  
       1.76    1.79
       2.41    2.44
   
     -12957.26213638 
     -12957.25029984 
     -12957.25819086 
   
  
  
       1.77    1.79
       2.42    2.44
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.69    1.71
       2.33    2.36
   
     -52068.81604284 
     -52068.82614409 
     -52068.81940992 
   
  
  
       1.82    1.84
       2.46    2.49
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.72    1.74
       2.36    2.38
   
     -36289.22160147 
     -36289.20419208 
     -36289.21579834 
   
  
  
       1.84    1.86
       2.50    2.52
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.71    1.73
       2.35    2.37
   
     -36570.71131083 
     -36570.68777569 
     -36570.70346578 
   
  
  
       1.82    1.85
       2.46    2.49
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.72    1.75
       2.36    2.39
   
     -40742.55223913 
     -40742.53741066 
     -40742.54729630 
   
  
  
       1.82    1.85
       2.47    2.50
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.75    1.78
       2.39    2.42
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.81    1.83
       2.45    2.47
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.76    1.79
       2.40    2.43
   
    -437316.70571847 
    -437316.70273242 
    -437316.70472312 
   
  
  
       1.83    1.85
       2.46    2.48
   
    -297850.24862461 
    -297850.25863641 
    -297850.25196188 
   
  
  
       1.76    1.79
       2.41    2.43
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.77    1.79
       2.41    2.44
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.88    1.91
       2.52    2.55
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.91    1.93
       2.55    2.57
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.82    1.85
       2.47    2.49
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.87    1.89
       2.51    2.53
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.28    2.32
       2.93    2.97
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.74    1.77
       2.38    2.41
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.94    1.96
       2.58    2.60
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.89    1.92
       2.53    2.56
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.90    1.92
       2.55    2.57
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.89    1.93
       2.54    2.58
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.92    1.94
       2.57    2.59
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.99    2.02
       2.63    2.67
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.73    1.75
       2.39    2.41
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.92    1.94
       2.56    2.59
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.86    1.88
       2.51    2.53
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.88    1.90
       2.53    2.55
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.08    2.10
       2.72    2.75
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.86    1.88
       2.50    2.54
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.06    2.08
       2.71    2.73
   
    **************** 
    **************** 
    ****************