vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  08:26:46 
 
 
  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
        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      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
  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 
    
   
   
           0.85654327       0.47775503       0.02456546 
           0.86646926       0.19956059       0.50487094 
           0.14556000       0.47981877       0.11931905 
           0.16855754       0.12617085       0.26808424 
           0.90031182       0.24365542       0.91546758 
           0.83634501       0.39101860       0.29816871 
           0.21795333       0.31459516       0.31800503 
           0.29267109       0.41004092       0.48787258 
           0.89255134       0.28945525       0.49492248 
           0.87038132       0.34647382       0.17855605 
           0.67533566       0.70778776       0.29886534 
           0.10630582       0.23172317       0.65554096 
           0.84684808       0.27595056       0.49887991 
           0.89864968       0.44830795       0.82446074 
           0.24030084       0.34757082       0.58500676 
           0.28420914       0.43922815       0.82231894 
           0.34437795       0.47099341       0.15336768 
           0.36998363       0.32804270       0.52660755 
           0.64961617       0.49469051       0.08282920 
           0.65742914       0.12716602       0.25322160 
           0.39519043       0.24230210       0.88032679 
           0.33428492       0.89097832       0.95993313 
           0.49999447       0.31687710       0.31781200 
           0.43711826       0.42039535       0.51918153 
           0.38667612       0.46802649       0.57977450 
           0.38659463       0.33346054       0.17898355 
           0.98472077       0.73168076       0.24726292 
           0.56683732       0.22769441       0.67627406 
           0.36173907       0.51835955       0.33259471 
           0.40263067       0.32975400       0.77276538 
           0.57147366       0.35854028       0.59253929 
           0.49123219       0.44818800       0.79880896 
           0.03893275       0.57564422       0.55437694 
           0.87369731       0.21850486       0.12256937 
           0.24012421       0.16981776       0.70448302 
   
  
  
           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
       88
       -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  
          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      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
         -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
           0.00000003
           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
  
  
        4
        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
        27.99362752
         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
    O    2
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       1O      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 
   
  
  
          0.85654327       0.47775503       0.02456546 
          0.86646926       0.19956059       0.50487094 
          0.14556000       0.47981877       0.11931905 
          0.16855754       0.12617085       0.26808424 
          0.90031182       0.24365542       0.91546758 
          0.83634501       0.39101860       0.29816871 
          0.21795333       0.31459516       0.31800503 
          0.29267109       0.41004092       0.48787258 
          0.89255134       0.28945525       0.49492248 
          0.87038132       0.34647382       0.17855605 
          0.67533566       0.70778776       0.29886534 
          0.10630582       0.23172317       0.65554096 
          0.84684808       0.27595056       0.49887991 
          0.89864968       0.44830795       0.82446074 
          0.24030084       0.34757082       0.58500676 
          0.28420914       0.43922815       0.82231894 
          0.34437795       0.47099341       0.15336768 
          0.36998363       0.32804270       0.52660755 
          0.64961617       0.49469051       0.08282920 
          0.65742914       0.12716602       0.25322160 
          0.39519043       0.24230210       0.88032679 
          0.33428492       0.89097832       0.95993313 
          0.49999447       0.31687710       0.31781200 
          0.43711826       0.42039535       0.51918153 
          0.38667612       0.46802649       0.57977450 
          0.38659463       0.33346054       0.17898355 
          0.98472077       0.73168076       0.24726292 
          0.56683732       0.22769441       0.67627406 
          0.36173907       0.51835955       0.33259471 
          0.40263067       0.32975400       0.77276538 
          0.57147366       0.35854028       0.59253929 
          0.49123219       0.44818800       0.79880896 
          0.03893275       0.57564422       0.55437694 
          0.87369731       0.21850486       0.12256937 
          0.24012421       0.16981776       0.70448302 
  
 
 
  
       6.10    6.16
       6.60    6.66
   
         24.76344702 
       6196.51832020 
      -8853.51117960 
       -276.89377062 
       3170.77583059 
      -2609.60722799 
         -0.01533246 
       -229.79988234 
       3755.32434067 
       1177.55454548 
       1177.56987794 
       1177.55965630 
   
  
  
       7.71    7.77
       7.71    7.77
   
        418.26764138 
        418.27221007 
        418.26916428 
   
  
  
       9.41    9.47
       9.41    9.48
   
        255.12886565 
        255.14117923 
        255.13297017 
   
  
  
       7.96    8.02
       7.97    8.02
   
        239.57612034 
        239.55662528 
        239.56962199 
   
  
  
       7.92    7.97
       8.03    8.09
   
        238.83655217 
        238.81883366 
        238.83064600 
   
  
  
       8.86    8.91
       9.44    9.50
   
        278.60100366 
        278.59561868 
        278.59920866 
   
  
  
       7.76    7.81
       8.32    8.38
   
        301.71263840 
        301.70604490 
        301.71044057 
   
  
  
       7.20    7.25
       7.76    7.82
   
        325.97384437 
        325.93847761 
        325.96205545 
   
  
  
       7.58    7.63
       8.14    8.20
   
        323.78763762 
        323.74417485 
        323.77315003 
   
  
  
       7.89    7.96
       8.45    8.52
   
        322.56358933 
        322.51807775 
        322.54841881 
   
  
  
       7.52    7.57
       8.07    8.13
   
        337.94753470 
        337.93803260 
        337.94436734 
   
  
  
       7.00    7.06
       7.58    7.64
   
        326.39141198 
        326.34150589 
        326.37477662 
   
  
  
       6.71    6.78
       7.27    7.34
   
        340.19006950 
        340.26422774 
        340.21478891 
   
  
  
       8.08    8.15
       8.64    8.71
   
        340.77542110 
        340.94766406 
        340.83283542 
   
  
  
       5.99    6.04
       6.55    6.61
   
        344.23915606 
        344.25141260 
        344.24324157 
   
  
  
       6.19    6.25
       6.76    6.81
   
        346.80082217 
        346.87915925 
        346.82693453 
   
  
  
       7.45    7.51
       8.01    8.07
   
        347.34832430 
        347.38062503 
        347.35909121 
   
  
  
       6.01    6.07
       6.57    6.63
   
        356.89581732 
        356.87764584 
        356.88976016 
   
  
  
       8.16    8.23
       8.73    8.81
   
        358.40344826 
        358.38754027 
        358.39814559 
   
  
  
       6.53    6.58
       7.12    7.17
   
        358.55576695 
        358.55246788 
        358.55466726 
   
  
  
       8.11    8.16
       8.68    8.74
   
       -226.00407793 
       -225.97515767 
       -225.99443784 
   
  
  
       7.13    7.21
       7.70    7.78
   
      -4119.14974645 
      -4119.15643323 
      -4119.15197537 
   
  
  
       7.22    7.28
       7.81    7.87
   
        391.35099551 
        391.38100481 
        391.36099861 
   
  
  
       6.52    6.58
       7.09    7.15
   
        374.83417759 
        374.90301452 
        374.85712323