vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  14:56:56 
 
 
  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 
          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 
   
  
  
          0.00931635       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 
  
 
 
  
       6.07    6.17
       6.61    6.70
   
         24.76344702 
        332.90443388 
      -2354.86713598 
       -291.12217530 
       3170.77583059 
      -2609.60722799 
         -0.00171453 
       -206.96633610 
       3755.32434067 
       1821.20346227 
       1821.20517680 
       1821.20403378 
   
  
  
       8.29    8.35
       8.29    8.35
   
       1034.52950391 
       1034.54176091 
       1034.53358958 
   
  
  
       8.38    8.44
       8.39    8.44
   
        793.87164849 
        793.87038291 
        793.87122663 
   
  
  
       6.60    6.65
       6.60    6.65
   
        750.73331775 
        750.71140647 
        750.72601399 
   
  
  
       6.52    6.59
       6.64    6.71
   
        742.28640472 
        742.27037296 
        742.28106080 
   
  
  
       6.78    6.83
       7.34    7.40
   
        914.21805476 
        914.24370497 
        914.22660483 
   
  
  
       6.64    6.69
       7.20    7.26
   
        909.12313828 
        909.09963452 
        909.11530369 
   
  
  
       7.52    7.58
       8.09    8.16
   
        897.91464178 
        897.95741563 
        897.92889973 
   
  
  
       6.62    6.68
       7.19    7.25
   
        920.93807972 
        920.92500963 
        920.93372302 
   
  
  
       6.90    6.95
       7.47    7.53
   
        919.54937951 
        919.54130447 
        919.54668783 
   
  
  
       7.88    7.94
       8.45    8.52
   
        923.13133292 
        923.14743286 
        923.13669956 
   
  
  
       7.12    7.18
       7.69    7.75
   
        923.33415455 
        923.30497768 
        923.32442893 
   
  
  
       7.51    7.57
       8.08    8.14
   
        920.26401544 
        920.31584294 
        920.28129127 
   
  
  
       6.59    6.64
       7.15    7.21
   
        920.89363793 
        920.93017195 
        920.90581593 
   
  
  
       7.48    7.54
       8.04    8.10
   
        916.37990684 
        916.36987674 
        916.37656347 
   
  
  
       7.11    7.16
       7.68    7.74
   
        915.56213993 
        915.60060427 
        915.57496138 
   
  
  
       7.48    7.54
       8.06    8.12
   
        918.06748870 
        918.06806634 
        918.06768125 
   
  
  
       6.08    6.14
       6.67    6.73
   
        925.74441378 
        925.69816428 
        925.72899728 
   
  
  
       7.01    7.06
       7.58    7.64
   
        928.10172652 
        928.09284509 
        928.09876604 
   
  
  
       6.81    6.88
       7.38    7.45
   
        937.11435505 
        937.13254962 
        937.12041990 
   
  
  
       5.83    5.89
       6.41    6.47
   
        947.77707850 
        947.77763275 
        947.77726325 
   
  
  
       7.31    7.38
       7.88    7.95
   
        952.44805830 
        952.46224270 
        952.45278643 
   
  
  
       7.57    7.63
       8.14    8.20
   
        952.59530357 
        952.60989137 
        952.60016617 
   
  
  
       6.35    6.41
       6.95    7.00
   
        957.12876395 
        957.14718451 
        957.13490414 
   
  
  
       6.44    6.50
       7.02    7.08
   
        951.43081240 
        951.43682717 
        951.43281732 
   
  
  
       6.45    6.51
       7.03    7.09
   
        942.18886155 
        942.21276640 
        942.19682984 
   
  
  
       7.64    7.70
       8.23    8.29
   
        934.36318102 
        934.35876225 
        934.36170810 
   
  
  
       7.05    7.12
       7.67    7.75
   
        930.60863826 
        930.61457953 
        930.61061868 
   
  
  
       6.86    6.94
       7.45    7.53
   
        929.28685571 
        929.27927597 
        929.28432913 
   
  
  
       7.31    7.37
       7.89    7.96
   
        929.58652460 
        929.57601540 
        929.58302153 
   
  
  
       6.55    6.62
       7.14    7.21
   
        930.28148999 
        930.28589443 
        930.28295814 
   
  
  
       5.90    5.95
       6.50    6.56
   
        931.06834331 
        931.07276545 
        931.06981736 
   
  
  
       6.47    6.53
       7.07    7.14
   
        935.54262238 
        935.53952241 
        935.54158906 
   
  
  
       6.44    6.49
       7.04    7.09
   
        935.58919848 
        935.55861380 
        935.57900359 
   
  
  
       7.15    7.21
       7.76    7.82
   
        934.94856621 
        934.92094450 
        934.93935897 
   
  
  
       7.33    7.39
       7.93    7.99
   
        934.91549019 
        934.89027213 
        934.90708417 
   
  
  
       6.52    6.60
       7.11    7.19
   
        935.65667573 
        935.63225584 
        935.64853577 
   
  
  
       6.58    6.65
       7.18    7.26
   
        936.93849400 
        936.91324944 
        936.93007914 
   
  
  
       4.71    4.78
       5.31    5.37
   
        937.72284764 
        937.70077198 
        937.71548909 
   
  
  
       4.50    4.57
       5.18    5.25
   
        931.76164327 
        931.74312892 
        931.75547182 
   
  
  
       4.71    4.77
       5.30    5.36
   
        930.24120249 
        930.23621160 
        930.23953886 
   
  
  
       5.68    5.73
       6.27    6.33
   
        931.49218552 
        931.48831358 
        931.49089487 
   
  
  
       5.25    5.30
       5.84    5.90
   
        931.33388290 
        931.33000700 
        931.33259093 
   
  
  
       4.57    4.63
       5.17    5.23
   
        931.71224540 
        931.70901307 
        931.71116796 
   
  
  
       4.63    4.69
       5.23    5.29
   
        929.35951046 
        929.34997314 
        929.35633135 
   
  
  
       3.08    3.14
       3.73    3.79
   
        933.17835510 
        933.16930294 
        933.17533771 
   
  
  
       3.19    3.26
       3.83    3.90
   
        933.93593408 
        933.91897840 
        933.93028219 
   
  
  
       3.16    3.21
       3.75    3.80
   
        931.69941231 
        931.66542694 
        931.68808385 
   
  
  
       3.22    3.28
       3.81    3.87
   
        939.09044761 
        939.05215884 
        939.07768469 
   
  
  
       2.85    2.90
       3.44    3.49
   
        952.45945572 
        952.43356175 
        952.45082439 
   
  
  
       3.11    3.17
       3.69    3.75
   
       1074.86206600 
       1074.85208027 
       1074.85873742 
   
  
  
       3.47    3.52
       4.05    4.10
   
       1087.47799217 
       1087.46181693 
       1087.47260042 
   
  
  
       4.35    4.40
       4.94    4.99
   
       1088.18683910 
       1088.16754799 
       1088.18040873 
   
  
  
       2.30    2.35
       2.90    2.95
   
     -31506.67210688 
     -31506.63996844 
     -31506.66139407 
   
  
  
       1.92    1.97
       2.52    2.58
   
       1189.10604521 
       1189.14096306 
       1189.11768449 
   
  
  
       1.98    2.03
       2.54    2.59
   
       1190.90075612 
       1190.87511557 
       1190.89220927 
   
  
  
       2.16    2.21
       2.70    2.75
   
       1146.75741969 
       1146.74037252 
       1146.75173730 
   
  
  
       2.09    2.14
       2.62    2.67
   
       1099.05832561 
       1099.06217036 
       1099.05960719 
   
  
  
       2.44    2.48
       2.98    3.03
   
       -815.76309662 
       -815.76231264 
       -815.76283529 
   
  
  
       2.11    2.16
       2.65    2.70
   
      -1313.07155004 
      -1313.05286413 
      -1313.06532141 
   
  
  
       1.93    1.98
       2.47    2.52
   
       1113.26223538 
       1113.27559448 
       1113.26668841 
   
  
  
       2.10    2.15
       2.64    2.69
   
        989.09723743 
        989.10592642 
        989.10013376 
   
  
  
       2.27    2.32
       2.80    2.85
   
       1141.03823628 
       1141.04933909 
       1141.04193722 
   
  
  
       2.21    2.25
       2.75    2.80
   
       1181.09583160 
       1181.08016826 
       1181.09061049 
   
  
  
       2.10    2.15
       2.64    2.69
   
       1151.12100342 
       1151.10754511 
       1151.11651732 
   
  
  
       1.98    2.03
       2.51    2.56
   
       1099.23072135 
       1099.19738466 
       1099.21960912 
   
  
  
       1.96    2.00
       2.49    2.54
   
       1087.79050165 
       1087.80149349 
       1087.79416560 
   
  
  
       2.08    2.13
       2.62    2.67
   
       1105.22785621 
       1105.21838046 
       1105.22469763 
   
  
  
       2.05    2.10
       2.59    2.64
   
       1109.22963920 
       1109.22318392 
       1109.22748744 
   
  
  
       1.95    2.00
       2.48    2.53
   
       1109.19970413 
       1109.18010257 
       1109.19317028 
   
  
  
       1.94    1.99
       2.47    2.52
   
        970.05345829 
        970.05872757 
        970.05521472 
   
  
  
       2.12    2.16
       2.65    2.70
   
        984.44944170 
        984.50686674 
        984.46858338 
   
  
  
       1.93    1.98
       2.47    2.52
   
       1001.39378554 
       1001.39279341 
       1001.39345483 
   
  
  
       1.90    1.95
       2.44    2.49
   
       1008.95324541 
       1008.96161694 
       1008.95603592 
   
  
  
       2.11    2.16
       2.65    2.70
   
       1008.29968383 
       1008.29491969 
       1008.29809578 
   
  
  
       1.86    1.91
       2.40    2.45
   
        979.83705266 
        979.89096310 
        979.85502281 
   
  
  
       1.97    2.01
       2.50    2.55
   
        987.18996291 
        987.23011017 
        987.20334533 
   
  
  
       1.88    1.92
       2.41    2.46
   
        983.82290549 
        983.81510489 
        983.82030529 
   
  
  
       2.12    2.17
       2.66    2.71
   
        983.88799713 
        983.88061345 
        983.88553590 
   
  
  
       1.87    1.92
       2.41    2.46
   
        982.81217477 
        982.83058149 
        982.81831034 
   
  
  
       1.85    1.89
       2.38    2.43
   
        983.51475042 
        983.50914849 
        983.51288311 
   
  
  
       2.02    2.06
       2.55    2.60
   
        984.82307553 
        984.81097364 
        984.81904157 
   
  
  
       2.27    2.32
       2.81    2.86
   
        897.35933192 
        897.35942325 
        897.35936237 
   
  
  
       1.94    1.99
       2.48    2.53
   
        988.64502425 
        988.65803989 
        988.64936280 
   
  
  
       1.97    2.02
       2.50    2.55
   
        986.90227469 
        986.91511599 
        986.90655512 
   
  
  
       2.25    2.30
       2.78    2.83
   
        516.63464553 
        516.64309379 
        516.63746161 
   
  
  
       2.04    2.08
       2.57    2.62
   
        997.53578931 
        997.55533306 
        997.54230390 
   
  
  
       2.07    2.12
       2.61    2.66
   
        987.07352115 
        987.07674118 
        987.07459449 
   
  
  
       2.00    2.05
       2.54    2.59
   
        990.96644289 
        990.98347916 
        990.97212165 
   
  
  
       2.23    2.28
       2.76    2.81
   
     -13033.08805569 
     -13033.09077952 
     -13033.08896364