vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  18:10:45 
 
 
  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
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      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 
    
   
   
           0.00931635       0.09091192       0.50471362 
           0.93520735       0.15216976       0.57639582 
           0.98243759       0.96348671       0.76525681 
           0.12361172       0.71149011       0.54042806 
           0.96235147       0.50260556       0.68487206 
           0.19312768       0.88447712       0.68790834 
           0.01062685       0.25572962       0.53642735 
           0.96005295       0.02577750       0.75127969 
           0.19113303       0.95768380       0.61185014 
           0.54553055       0.69667502       0.58013913 
           0.60371960       0.70957870       0.15800616 
           0.65398117       0.08638866       0.60678698 
           0.54496867       0.87368287       0.78686458 
           0.04271220       0.89266291       0.06840024 
           0.03735937       0.56949785       0.84902510 
           0.03178742       0.42261600       0.39586039 
           0.78363248       0.79488662       0.11241278 
           0.78796912       0.25152280       0.60810385 
           0.46017719       0.71434293       0.45996803 
           0.64478614       0.89388646       0.50561812 
           0.11470363       0.71693628       0.55963797 
           0.82674140       0.23349006       0.16138851 
           0.31897475       0.34089179       0.79080674 
           0.12534793       0.35015843       0.86310762 
           0.01828117       0.23513439       0.83693319 
           0.75157349       0.32996924       0.90072569 
           0.75412584       0.20848251       0.35520961 
           0.07546680       0.72996484       0.60722512 
           0.13955738       0.61933425       0.99090636 
           0.77198832       0.64159244       0.63353716 
           0.70793808       0.15895807       0.91989800 
           0.98751378       0.36010618       0.82410452 
           0.03928684       0.55703529       0.92868146 
           0.56600540       0.65651134       0.28834982 
           0.01796460       0.33236528       0.07126869 
   
  
  
           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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          0.00000000       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 
   
  
  
          0.00931635       0.09091192       0.50471362 
          0.93520735       0.15216976       0.57639582 
          0.98243759       0.96348671       0.76525681 
          0.12361172       0.71149011       0.54042806 
          0.96235147       0.50260556       0.68487206 
          0.19312768       0.88447712       0.68790834 
          0.01062685       0.25572962       0.53642735 
          0.96005295       0.02577750       0.75127969 
          0.19113303       0.95768380       0.61185014 
          0.54553055       0.69667502       0.58013913 
          0.60371960       0.70957870       0.15800616 
          0.65398117       0.08638866       0.60678698 
          0.54496867       0.87368287       0.78686458 
          0.04271220       0.89266291       0.06840024 
          0.03735937       0.56949785       0.84902510 
          0.03178742       0.42261600       0.39586039 
          0.78363248       0.79488662       0.11241278 
          0.78796912       0.25152280       0.60810385 
          0.46017719       0.71434293       0.45996803 
          0.64478614       0.89388646       0.50561812 
          0.11470363       0.71693628       0.55963797 
          0.82674140       0.23349006       0.16138851 
          0.31897475       0.34089179       0.79080674 
          0.12534793       0.35015843       0.86310762 
          0.01828117       0.23513439       0.83693319 
          0.75157349       0.32996924       0.90072569 
          0.75412584       0.20848251       0.35520961 
          0.07546680       0.72996484       0.60722512 
          0.13955738       0.61933425       0.99090636 
          0.77198832       0.64159244       0.63353716 
          0.70793808       0.15895807       0.91989800 
          0.98751378       0.36010618       0.82410452 
          0.03928684       0.55703529       0.92868146 
          0.56600540       0.65651134       0.28834982 
          0.01796460       0.33236528       0.07126869 
  
 
 
  
       5.98    6.04
       6.51    6.57
   
         24.76344702 
        332.90443388 
      -2354.86713598 
       -291.12217530 
       3170.77583059 
      -2609.60722799 
         -0.00171453 
       -206.96633610 
       3755.32434067 
       1821.20346227 
       1821.20517680 
       1821.20403378 
   
  
  
       8.31    8.37
       8.31    8.37
   
       1034.52950391 
       1034.54176091 
       1034.53358958 
   
  
  
       8.44    8.50
       8.44    8.50
   
        793.87164849 
        793.87038291 
        793.87122663 
   
  
  
       6.69    6.75
       6.69    6.75
   
        750.73331775 
        750.71140647 
        750.72601399 
   
  
  
       6.57    6.62
       6.69    6.74
   
        742.28640472 
        742.27037296 
        742.28106080 
   
  
  
       6.91    6.97
       7.46    7.53
   
        914.21805476 
        914.24370497 
        914.22660483 
   
  
  
       6.69    6.76
       7.25    7.31
   
        909.12313829 
        909.09963453 
        909.11530370 
   
  
  
       7.49    7.55
       8.05    8.12
   
        897.91464173 
        897.95741558 
        897.92889968 
   
  
  
       6.67    6.73
       7.23    7.29
   
        920.93807974 
        920.92500964 
        920.93372304 
   
  
  
       6.88    6.95
       7.44    7.51
   
        919.54937952 
        919.54130448 
        919.54668784 
   
  
  
       7.95    8.04
       8.51    8.60
   
        923.13133296 
        923.14743290 
        923.13669961 
   
  
  
       7.17    7.24
       7.73    7.80
   
        923.33415463 
        923.30497776 
        923.32442901 
   
  
  
       7.59    7.65
       8.16    8.22
   
        920.26401495 
        920.31584245 
        920.28129078 
   
  
  
       6.63    6.68
       7.18    7.24
   
        920.89363804 
        920.93017206 
        920.90581605 
   
  
  
       7.46    7.51
       8.05    8.11
   
        916.37990518 
        916.36987510 
        916.37656182 
   
  
  
       7.18    7.25
       7.75    7.82
   
        915.56213817 
        915.60060253 
        915.57495962 
   
  
  
       7.51    7.56
       8.08    8.14
   
        918.06748545 
        918.06806305 
        918.06767798 
   
  
  
       6.12    6.17
       6.70    6.76
   
        925.74440803 
        925.69815847 
        925.72899151 
   
  
  
       7.12    7.19
       7.69    7.76
   
        928.10174001 
        928.09285948 
        928.09877983 
   
  
  
       6.92    7.00
       7.50    7.58
   
        937.11434752 
        937.13254282 
        937.12041262 
   
  
  
       5.72    5.77
       6.31    6.36
   
        947.77770077 
        947.77825531 
        947.77788561 
   
  
  
       7.41    7.47
       7.98    8.06
   
        952.44802883 
        952.46221372 
        952.45275713 
   
  
  
       7.50    7.56
       8.08    8.14
   
        952.59523678 
        952.60982458 
        952.60009938 
   
  
  
       6.33    6.39
       6.92    6.98
   
        957.12764239 
        957.14606278 
        957.13378252 
   
  
  
       6.52    6.57
       7.10    7.15
   
        951.43080898 
        951.43682376 
        951.43281391 
   
  
  
       6.66    6.73
       7.25    7.32
   
        942.18849231 
        942.21240155 
        942.19646206 
   
  
  
       7.70    7.76
       8.28    8.34
   
        934.37011411 
        934.36572190 
        934.36865004 
   
  
  
       7.20    7.26
       7.80    7.86
   
        930.60494927 
        930.61086376 
        930.60692077 
   
  
  
       7.10    7.17
       7.69    7.77
   
        929.28549416 
        929.27795205 
        929.28298012 
   
  
  
       7.42    7.49
       8.01    8.09
   
        929.59567969 
        929.58526559 
        929.59220832 
   
  
  
       6.46    6.53
       7.06    7.13
   
        930.29514778 
        930.29867525 
        930.29632360 
   
  
  
       5.82    5.88
       6.42    6.48
   
        931.23393070 
        931.23717451 
        931.23501197 
   
  
  
       6.54    6.61
       7.14    7.21
   
        935.78212963 
        935.77881900 
        935.78102609 
   
  
  
       6.33    6.39
       6.92    6.99
   
        936.21345749 
        936.18371759 
        936.20354419 
   
  
  
       7.13    7.19
       7.73    7.79
   
        935.75020540 
        935.72050421 
        935.74030500 
   
  
  
       7.06    7.13
       7.67    7.74
   
        935.73440793 
        935.70707778 
        935.72529788 
   
  
  
       7.02    7.08
       7.63    7.69
   
        936.64900057 
        936.62231984 
        936.64010699 
   
  
  
       6.57    6.62
       7.19    7.25
   
        938.02623111 
        937.99902819 
        938.01716347 
   
  
  
       4.55    4.62
       5.18    5.25
   
        937.81785839 
        937.79473129 
        937.81014936 
   
  
  
       4.51    4.57
       5.16    5.22
   
        926.81164122 
        926.77589372 
        926.79972539 
   
  
  
       4.66    4.72
       5.26    5.32
   
        924.77569715 
        924.76888515 
        924.77342648 
   
  
  
       5.12    5.18
       5.72    5.78
   
        924.61147401 
        924.60360151 
        924.60884984 
   
  
  
       4.55    4.61
       5.22    5.29
   
        925.46639810 
        925.46227973 
        925.46502531 
   
  
  
       4.67    4.74
       5.34    5.41
   
        927.50111622 
        927.49012813 
        927.49745352 
   
  
  
       5.47    5.53
       6.09    6.16
   
        927.72122230 
        927.70157155 
        927.71467205 
   
  
  
       3.11    3.17
       3.74    3.81
   
        927.86917730 
        927.84300547 
        927.86045335 
   
  
  
       3.09    3.15
       3.75    3.81
   
        925.16863934 
        925.15843845 
        925.16523904 
   
  
  
       2.92    2.97
       3.51    3.57
   
        926.21692225 
        926.20128868 
        926.21171106 
   
  
  
       3.18    3.24
       3.77    3.84
   
        928.16391242 
        928.13991467 
        928.15591317 
   
  
  
       3.93    3.98
       4.53    4.58
   
        928.06945349 
        928.04511101 
        928.06133933 
   
  
  
       3.43    3.48
       4.03    4.08
   
       1173.68294815 
       1173.69080097 
       1173.68556576 
   
  
  
       3.75    3.81
       4.33    4.38
   
       1753.33148079 
       1753.32636694 
       1753.32977617 
   
  
  
       3.63    3.68
       4.21    4.26
   
       1297.25317946 
       1297.27310502 
       1297.25982131 
   
  
  
       2.13    2.18
       2.70    2.76
   
       1741.44365385 
       1741.43263872 
       1741.43998214 
   
  
  
       2.32    2.37
       2.93    2.98
   
       1223.32234153 
       1223.31644812 
       1223.32037706 
   
  
  
       2.43    2.48
       3.02    3.07
   
      -9409.13652809 
      -9409.11898136 
      -9409.13067918 
   
  
  
       2.16    2.20
       2.68    2.73
   
      -5366.02942897 
      -5365.99599365 
      -5366.01828386