vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  09:25:27 
 
 
  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
        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 
    
   
   
           0.68000077       0.21283081       0.27960075 
           0.97439196       0.83312301       0.59978436 
           0.37685929       0.05106594       0.86020363 
           0.68003437       0.14198582       0.03214171 
           0.00757840       0.53001395       0.93535736 
           0.78864614       0.10320145       0.84310453 
           0.47264647       0.33356296       0.00700532 
           0.69457087       0.55107174       0.88434439 
           0.31794470       0.54776988       0.65696429 
           0.04522865       0.82094304       0.74566875 
           0.13556286       0.19911741       0.42657235 
           0.58189187       0.92027064       0.07997840 
           0.35999778       0.09881838       0.89481827 
           0.27634864       0.02525811       0.84882484 
           0.57875613       0.32314824       0.00617065 
           0.99500150       0.05703560       0.24574092 
           0.88968138       0.74009764       0.47751690 
           0.26695159       0.06706984       0.90157923 
           0.37957400       0.31166366       0.19141585 
           0.17240436       0.03489834       0.78622598 
           0.30664655       0.96354122       0.69620127 
           0.86125059       0.81698521       0.98674142 
           0.98446175       0.03313070       0.94174290 
           0.28363777       0.65523245       0.34813459 
           0.73294298       0.47492662       0.54468312 
           0.27506491       0.82518771       0.81348522 
           0.94708087       0.83830853       0.58453276 
           0.94691135       0.27391505       0.61781568 
           0.82292663       0.49105130       0.67144138 
           0.78758088       0.02929362       0.23273571 
           0.56154388       0.55049003       0.16780153 
           0.07037355       0.33641133       0.78225698 
           0.62878264       0.57498885       0.65685491 
           0.69299340       0.38015882       0.94952131 
           0.89278655       0.30724488       0.39639680 
   
  
  
           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 
   
  
  
          0.68000077       0.21283081       0.27960075 
          0.97439196       0.83312301       0.59978436 
          0.37685929       0.05106594       0.86020363 
          0.68003437       0.14198582       0.03214171 
          0.00757840       0.53001395       0.93535736 
          0.78864614       0.10320145       0.84310453 
          0.47264647       0.33356296       0.00700532 
          0.69457087       0.55107174       0.88434439 
          0.31794470       0.54776988       0.65696429 
          0.04522865       0.82094304       0.74566875 
          0.13556286       0.19911741       0.42657235 
          0.58189187       0.92027064       0.07997840 
          0.35999778       0.09881838       0.89481827 
          0.27634864       0.02525811       0.84882484 
          0.57875613       0.32314824       0.00617065 
          0.99500150       0.05703560       0.24574092 
          0.88968138       0.74009764       0.47751690 
          0.26695159       0.06706984       0.90157923 
          0.37957400       0.31166366       0.19141585 
          0.17240436       0.03489834       0.78622598 
          0.30664655       0.96354122       0.69620127 
          0.86125059       0.81698521       0.98674142 
          0.98446175       0.03313070       0.94174290 
          0.28363777       0.65523245       0.34813459 
          0.73294298       0.47492662       0.54468312 
          0.27506491       0.82518771       0.81348522 
          0.94708087       0.83830853       0.58453276 
          0.94691135       0.27391505       0.61781568 
          0.82292663       0.49105130       0.67144138 
          0.78758088       0.02929362       0.23273571 
          0.56154388       0.55049003       0.16780153 
          0.07037355       0.33641133       0.78225698 
          0.62878264       0.57498885       0.65685491 
          0.69299340       0.38015882       0.94952131 
          0.89278655       0.30724488       0.39639680 
  
 
 
  
       6.18    6.24
       6.75    6.81
   
         24.76344702 
        446.05924650 
      -2475.07668186 
       -293.08681987 
       3170.77583059 
      -2609.60722799 
          0.01137381 
       -240.58294286 
       3755.32434067 
       1778.58056603 
       1778.56919221 
       1778.57677475 
   
  
  
       8.42    8.49
       8.42    8.49
   
       1026.92019574 
       1026.93057669 
       1026.92365606 
   
  
  
      10.06   10.13
      10.06   10.13
   
        779.91771395 
        779.88936763 
        779.90826518 
   
  
  
       8.82    8.87
       8.82    8.87
   
        734.53540794 
        734.54360807 
        734.53814132 
   
  
  
       7.98    8.04
       8.10    8.16
   
        731.68402137 
        731.68116914 
        731.68307063 
   
  
  
       8.53    8.58
       9.08    9.14
   
        762.72562324 
        762.71830919 
        762.72318522 
   
  
  
       9.28    9.36
       9.85    9.94
   
        880.98955536 
        880.98887388 
        880.98932820 
   
  
  
       8.38    8.44
       8.96    9.03
   
        949.70100550 
        949.69800155 
        949.70000419 
   
  
  
       7.72    7.77
       8.28    8.33
   
        901.91361169 
        901.88870081 
        901.90530806 
   
  
  
       7.76    7.82
       8.32    8.38
   
        919.17764901 
        919.19472719 
        919.18334173 
   
  
  
       7.16    7.22
       7.73    7.79
   
        917.48275090 
        917.48904472 
        917.48484884 
   
  
  
       8.22    8.30
       8.78    8.86
   
        929.62665932 
        929.61646724 
        929.62326196 
   
  
  
       7.62    7.68
       8.18    8.24
   
        915.39455168 
        915.44864618 
        915.41258318 
   
  
  
       8.25    8.31
       8.82    8.89
   
        923.85465096 
        923.85005526 
        923.85311906 
   
  
  
       7.00    7.06
       7.57    7.63
   
        914.08723680 
        914.05495391 
        914.07647584 
   
  
  
       7.84    7.90
       8.42    8.48
   
        911.81073302 
        911.79327863 
        911.80491489 
   
  
  
       7.37    7.43
       7.95    8.01
   
        910.73716958 
        910.72388288 
        910.73274068 
   
  
  
       7.08    7.15
       7.66    7.73
   
        916.74636524 
        916.74326181 
        916.74533076 
   
  
  
       7.10    7.16
       7.67    7.73
   
        916.13251279 
        916.12974261 
        916.13158940 
   
  
  
       7.50    7.56
       8.09    8.15
   
        918.05474153 
        918.06638590 
        918.05862298 
   
  
  
       6.51    6.57
       7.10    7.16
   
        919.78874021 
        919.80581579 
        919.79443207 
   
  
  
       6.35    6.41
       6.93    6.99
   
        936.71803728 
        936.73206124 
        936.72271193 
   
  
  
       7.42    7.49
       7.99    8.06
   
        934.57795728 
        934.55876410 
        934.57155955 
   
  
  
       7.44    7.50
       8.02    8.08
   
        738.94005789 
        738.94828529 
        738.94280036 
   
  
  
       7.60    7.66
       8.17    8.23
   
        953.50891583 
        953.52584635 
        953.51455933 
   
  
  
       7.66    7.72
       8.24    8.30
   
        901.07113398 
        901.08174680 
        901.07467158 
   
  
  
       7.24    7.30
       7.82    7.88
   
        908.50186825 
        908.52745550 
        908.51039733 
   
  
  
       7.23    7.29
       7.81    7.87
   
        930.53590252 
        930.55720445 
        930.54300316 
   
  
  
       6.92    6.99
       7.50    7.57
   
        946.23272125 
        946.20098242 
        946.22214164