vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  17:33:33 
 
 
  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 
    
   
   
           0.00931634       0.09091186       0.50471359 
           0.93520742       0.15216989       0.57639599 
           0.98243741       0.96348687       0.76525662 
           0.12361188       0.71149001       0.54042816 
           0.96235127       0.50260560       0.68487208 
           0.19312832       0.88447669       0.68790874 
           0.01062702       0.25572971       0.53642716 
           0.96005252       0.02577764       0.75127965 
           0.19113312       0.95768396       0.61184997 
           0.54553079       0.69667502       0.58013940 
           0.60371926       0.70957869       0.15800609 
           0.65398114       0.08638876       0.60678720 
           0.54496883       0.87368290       0.78686454 
           0.04271219       0.89266272       0.06840018 
           0.03735884       0.56949801       0.84902474 
           0.03178746       0.42261594       0.39586048 
           0.78363232       0.79488641       0.11241286 
           0.78796912       0.25152290       0.60810374 
           0.46017709       0.71434315       0.45996800 
           0.64478641       0.89388627       0.50561838 
           0.11470377       0.71693606       0.55963802 
           0.82674115       0.23348985       0.16138852 
           0.31897473       0.34089193       0.79080677 
           0.12534781       0.35015847       0.86310753 
           0.01828094       0.23513412       0.83693236 
           0.75157366       0.32996911       0.90072554 
           0.75412570       0.20848270       0.35520970 
           0.07546696       0.72996468       0.60722494 
           0.13955742       0.61933404       0.99090646 
           0.77198849       0.64159246       0.63353732 
           0.70793815       0.15895807       0.91989780 
           0.98751382       0.36010639       0.82410446 
           0.03928723       0.55703515       0.92868107 
           0.56600550       0.65651154       0.28834978 
           0.01796474       0.33236544       0.07126861 
   
  
  
           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 
   
  
  
          0.00931634       0.09091186       0.50471359 
          0.93520742       0.15216989       0.57639599 
          0.98243741       0.96348687       0.76525662 
          0.12361188       0.71149001       0.54042816 
          0.96235127       0.50260560       0.68487208 
          0.19312832       0.88447669       0.68790874 
          0.01062702       0.25572971       0.53642716 
          0.96005252       0.02577764       0.75127965 
          0.19113312       0.95768396       0.61184997 
          0.54553079       0.69667502       0.58013940 
          0.60371926       0.70957869       0.15800609 
          0.65398114       0.08638876       0.60678720 
          0.54496883       0.87368290       0.78686454 
          0.04271219       0.89266272       0.06840018 
          0.03735884       0.56949801       0.84902474 
          0.03178746       0.42261594       0.39586048 
          0.78363232       0.79488641       0.11241286 
          0.78796912       0.25152290       0.60810374 
          0.46017709       0.71434315       0.45996800 
          0.64478641       0.89388627       0.50561838 
          0.11470377       0.71693606       0.55963802 
          0.82674115       0.23348985       0.16138852 
          0.31897473       0.34089193       0.79080677 
          0.12534781       0.35015847       0.86310753 
          0.01828094       0.23513412       0.83693236 
          0.75157366       0.32996911       0.90072554 
          0.75412570       0.20848270       0.35520970 
          0.07546696       0.72996468       0.60722494 
          0.13955742       0.61933404       0.99090646 
          0.77198849       0.64159246       0.63353732 
          0.70793815       0.15895807       0.91989780 
          0.98751382       0.36010639       0.82410446 
          0.03928723       0.55703515       0.92868107 
          0.56600550       0.65651154       0.28834978 
          0.01796474       0.33236544       0.07126861 
  
 
 
  
       6.08    6.14
       6.59    6.65
   
         24.76344702 
        332.91068707 
      -2354.86782040 
       -291.12221152 
       3170.77583059 
      -2609.60722799 
         -0.00171516 
       -206.96602927 
       3755.32434067 
       1821.20930102 
       1821.21101618 
       1821.20987274 
   
  
  
       8.27    8.32
       8.27    8.32
   
       1034.53539377 
       1034.54765085 
       1034.53947946 
   
  
  
       8.35    8.41
       8.35    8.41
   
        793.87735478 
        793.87609018 
        793.87693325 
   
  
  
       6.68    6.73
       6.69    6.73
   
        750.73877759 
        750.71686759 
        750.73147426 
   
  
  
       6.50    6.56
       6.62    6.68
   
        742.29181181 
        742.27578110 
        742.28646824 
   
  
  
       6.84    6.90
       7.41    7.48
   
        914.22375291 
        914.24940459 
        914.23230347 
   
  
  
       6.74    6.80
       7.30    7.36
   
        909.12860316 
        909.10509682 
        909.12076771 
   
  
  
       7.51    7.57
       8.07    8.14
   
        897.92046421 
        897.96323638 
        897.93472160 
   
  
  
       6.69    6.75
       7.25    7.31
   
        920.94354586 
        920.93048127 
        920.93919099 
   
  
  
       6.89    6.96
       7.46    7.53
   
        919.55493760 
        919.54686735 
        919.55224752 
   
  
  
       7.88    7.94
       8.44    8.50
   
        923.13720089 
        923.15330134 
        923.14256771 
   
  
  
       7.13    7.18
       7.69    7.75
   
        923.34038751 
        923.31119210 
        923.33065571 
   
  
  
       7.60    7.67
       8.16    8.24
   
        920.26550023 
        920.31734926 
        920.28278324 
   
  
  
       6.67    6.73
       7.26    7.32
   
        920.89871462 
        920.93526490 
        920.91089805 
   
  
  
       7.40    7.46
       7.99    8.06
   
        916.36030452 
        916.35011993 
        916.35690965 
   
  
  
       7.35    7.40
       7.90    7.96
   
        915.54659825 
        915.58532442 
        915.55950697 
   
  
  
       7.53    7.58
       8.11    8.17
   
        918.07329118 
        918.07353767 
        918.07337334 
   
  
  
       6.06    6.13
       6.62    6.69
   
        925.62835671 
        925.58160106 
        925.61277149 
   
  
  
       6.99    7.04
       7.57    7.63
   
        928.22357361 
        928.22506427 
        928.22407050 
   
  
  
       6.85    6.92
       7.42    7.49
   
        937.01681078 
        937.04071027 
        937.02477728 
   
  
  
       6.09    6.16
       6.67    6.75
   
        948.98068747 
        948.98619840 
        948.98252445 
   
  
  
       6.90    6.96
       7.47    7.53
   
        946.12801316 
        946.15788900 
        946.13797178 
   
  
  
       7.32    7.39
       7.90    7.97
   
        951.60843540 
        951.63293490 
        951.61660190 
   
  
  
       6.80    6.87
       7.38    7.45
   
        952.81624497 
        952.83609963 
        952.82286319 
   
  
  
       7.07    7.12
       7.66    7.71
   
        948.38894505 
        948.41336990 
        948.39708667 
   
  
  
       6.75    6.81
       7.33    7.39
   
        943.59690739 
        943.59798163 
        943.59726547 
   
  
  
       7.09    7.15
       7.69    7.76
   
        944.11653074 
        944.13101611 
        944.12135920 
   
  
  
       7.53    7.59
       8.10    8.17
   
        935.07357340 
        935.08552788 
        935.07755823 
   
  
  
       6.76    6.82
       7.34    7.41
   
        932.96802241 
        932.95006300 
        932.96203594 
   
  
  
       6.84    6.89
       7.42    7.47
   
        933.91817526 
        933.89643069 
        933.91092707 
   
  
  
       6.63    6.71
       7.22    7.30
   
        932.33883187 
        932.32585151 
        932.33450508 
   
  
  
       6.60    6.66
       7.19    7.26
   
        932.98930896 
        932.96960303 
        932.98274032 
   
  
  
       5.86    5.93
       6.45    6.51
   
        932.59085484 
        932.59894046 
        932.59355005 
   
  
  
       6.34    6.41
       6.94    7.01
   
        931.15271720 
        931.17125935 
        931.15889792 
   
  
  
       6.02    6.09
       6.61    6.68
   
        930.21058865 
        930.22242037 
        930.21453255 
   
  
  
       7.03    7.10
       7.63    7.70
   
        930.95883204 
        930.95443261 
        930.95736556 
   
  
  
       6.54    6.59
       7.16    7.21
   
        934.73673739 
        934.71069411 
        934.72805629 
   
  
  
       7.06    7.12
       7.67    7.73
   
        936.81072021 
        936.78848900 
        936.80330980 
   
  
  
       5.50    5.55
       6.11    6.17
   
        939.41386000 
        939.41024118 
        939.41265373 
   
  
  
       4.58    4.63
       5.22    5.28
   
        946.15520366 
        946.17181665 
        946.16074132 
   
  
  
       4.90    4.95
       5.49    5.54
   
        943.18314922 
        943.20352821 
        943.18994222 
   
  
  
       4.57    4.63
       5.17    5.23
   
        946.62148213 
        946.62599230 
        946.62298552 
   
  
  
       4.64    4.70
       5.25    5.31
   
        943.15036247 
        943.15712054 
        943.15261516 
   
  
  
       4.74    4.80
       5.37    5.42
   
        939.33864206 
        939.35300196 
        939.34342869 
   
  
  
       5.01    5.07
       5.61    5.67
   
        939.68874093 
        939.70464045 
        939.69404077 
   
  
  
       4.88    4.94
       5.48    5.55
   
        942.64103337 
        942.64617096 
        942.64274590 
   
  
  
       4.99    5.05
       5.61    5.66
   
        942.40629600 
        942.41416601 
        942.40891933 
   
  
  
       4.54    4.60
       5.16    5.22
   
        942.41274926 
        942.42761874 
        942.41770575 
   
  
  
       4.65    4.71
       5.33    5.39
   
        937.40347083 
        937.44088090 
        937.41594086 
   
  
  
       4.96    5.02
       5.63    5.70
   
        936.96507727 
        937.00205471 
        936.97740308 
   
  
  
       5.48    5.53
       6.10    6.16
   
        316.36643251 
        316.35297052 
        316.36194518 
   
  
  
       5.55    5.61
       6.18    6.25
   
        895.23421711 
        895.24295686 
        895.23713036 
   
  
  
       5.97    6.02
       6.61    6.67
   
        930.32569521 
        930.32058923 
        930.32399322 
   
  
  
       4.12    4.18
       4.74    4.80
   
       1012.68162351 
       1012.67369113 
       1012.67897938 
   
  
  
       3.73    3.81
       4.38    4.47
   
      -2789.69264096 
      -2789.69295648 
      -2789.69274613 
   
  
  
       2.99    3.04
       3.58    3.63
   
       1251.59961066 
       1251.59590397 
       1251.59837509 
   
  
  
       3.78    3.83
       4.36    4.41
   
       -358.56367138 
       -358.56361926 
       -358.56365401 
   
  
  
       3.70    3.75
       4.28    4.34
   
        114.13141568 
        114.13157699 
        114.13146945 
   
  
  
       3.83    3.89
       4.43    4.48
   
      -1851.22179109 
      -1851.24654783 
      -1851.23004334 
   
  
  
       3.07    3.13
       3.65    3.71
   
        952.50411926 
        952.49098744 
        952.49974199 
   
  
  
       2.92    2.98
       3.50    3.56
   
       1038.10573981 
       1038.10701755 
       1038.10616573