vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  16:41:23 
 
 
  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 
    
   
   
           0.94851373       0.09086484       0.20934493 
           0.63019392       0.61164412       0.96247406 
           0.91078372       0.42491126       0.61744391 
           0.56945108       0.49089837       0.85088699 
           0.35199752       0.00911575       0.16446110 
           0.98423446       0.14239053       0.89869675 
           0.10855275       0.96227201       0.16392474 
           0.17463007       0.97611659       0.84323351 
           0.82137741       0.20262850       0.53348937 
           0.28108773       0.90793571       0.37299814 
           0.98350052       0.14232758       0.64020097 
           0.52088679       0.73069500       0.06117624 
           0.26318458       0.35683916       0.38194963 
           0.03020940       0.18796814       0.80278018 
           0.94436258       0.77206797       0.11082542 
           0.21702453       0.07404465       0.30802479 
           0.98108831       0.03219233       0.17290416 
           0.57719138       0.34780981       0.83963037 
           0.33149950       0.21874592       0.00100697 
           0.51970506       0.58851841       0.16865508 
           0.46278053       0.26813380       0.38235006 
           0.14468183       0.28687974       0.87808245 
           0.19612029       0.42742336       0.75306799 
           0.79730638       0.13487316       0.60361786 
           0.86362253       0.97104869       0.81330704 
           0.80534665       0.56626229       0.52023106 
           0.59890364       0.90067624       0.62501743 
           0.07644098       0.99441468       0.76048035 
           0.51018199       0.26741876       0.38967171 
           0.20721009       0.87296737       0.63402005 
           0.76441852       0.80913372       0.04883802 
           0.36172649       0.72639766       0.68045632 
           0.36825112       0.45846129       0.86739681 
           0.08236051       0.92753139       0.56275860 
           0.32632895       0.02522918       0.77958057 
   
  
  
           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 
   
  
  
          0.94851373       0.09086484       0.20934493 
          0.63019392       0.61164412       0.96247406 
          0.91078372       0.42491126       0.61744391 
          0.56945108       0.49089837       0.85088699 
          0.35199752       0.00911575       0.16446110 
          0.98423446       0.14239053       0.89869675 
          0.10855275       0.96227201       0.16392474 
          0.17463007       0.97611659       0.84323351 
          0.82137741       0.20262850       0.53348937 
          0.28108773       0.90793571       0.37299814 
          0.98350052       0.14232758       0.64020097 
          0.52088679       0.73069500       0.06117624 
          0.26318458       0.35683916       0.38194963 
          0.03020940       0.18796814       0.80278018 
          0.94436258       0.77206797       0.11082542 
          0.21702453       0.07404465       0.30802479 
          0.98108831       0.03219233       0.17290416 
          0.57719138       0.34780981       0.83963037 
          0.33149950       0.21874592       0.00100697 
          0.51970506       0.58851841       0.16865508 
          0.46278053       0.26813380       0.38235006 
          0.14468183       0.28687974       0.87808245 
          0.19612029       0.42742336       0.75306799 
          0.79730638       0.13487316       0.60361786 
          0.86362253       0.97104869       0.81330704 
          0.80534665       0.56626229       0.52023106 
          0.59890364       0.90067624       0.62501743 
          0.07644098       0.99441468       0.76048035 
          0.51018199       0.26741876       0.38967171 
          0.20721009       0.87296737       0.63402005 
          0.76441852       0.80913372       0.04883802 
          0.36172649       0.72639766       0.68045632 
          0.36825112       0.45846129       0.86739681 
          0.08236051       0.92753139       0.56275860 
          0.32632895       0.02522918       0.77958057 
  
 
 
  
       5.67    5.73
       6.16    6.21
   
         24.76344702 
       -442.05988970 
      -2321.32565482 
       -291.57686477 
       3170.77583059 
      -2609.60722799 
         -0.00909584 
       -189.15916005 
       3755.32434067 
       1097.12572512 
       1097.13482096 
       1097.12875707 
   
  
  
       7.42    7.47
       7.42    7.47
   
        460.69188758 
        460.70402439 
        460.69593318 
   
  
  
       8.56    8.62
       8.56    8.62
   
        338.24369571 
        338.18825460 
        338.22521534 
   
  
  
       8.43    8.48
       8.43    8.48
   
        320.49774155 
        320.55433045 
        320.51660452 
   
  
  
       7.37    7.43
       7.48    7.55
   
        319.77642516 
        319.83252382 
        319.79512471 
   
  
  
       8.33    8.40
       8.89    8.97
   
        275.14907636 
        275.15539318 
        275.15118197 
   
  
  
       8.61    8.66
       9.17    9.23
   
        372.35707804 
        372.34531722 
        372.35315777 
   
  
  
       7.73    7.80
       8.28    8.36
   
        372.62604984 
        372.58851608 
        372.61353859 
   
  
  
       8.07    8.13
       8.63    8.69
   
        373.54587338 
        373.54672024 
        373.54615567 
   
  
  
       6.82    6.88
       7.38    7.45
   
        380.63906807 
        380.66472341 
        380.64761985 
   
  
  
       7.34    7.40
       7.90    7.96
   
        380.13428802 
        380.14259464 
        380.13705689 
   
  
  
       7.59    7.65
       8.15    8.21
   
        379.34491942 
        379.31934851 
        379.33639578 
   
  
  
       7.02    7.09
       7.58    7.66
   
        378.39352422 
        378.38170990 
        378.38958612 
   
  
  
       7.21    7.26
       7.77    7.83
   
        383.14187278 
        383.12319265 
        383.13564607 
   
  
  
       6.98    7.04
       7.55    7.60
   
        383.89054315 
        383.89286882 
        383.89131838 
   
  
  
       7.67    7.72
       8.23    8.28
   
        384.13660057 
        384.12401361 
        384.13240491 
   
  
  
       7.28    7.33
       7.85    7.90
   
        382.79500224 
        382.77247481 
        382.78749309 
   
  
  
       6.66    6.72
       7.22    7.29
   
        385.16536027 
        385.15971361 
        385.16347805 
   
  
  
       6.35    6.42
       6.92    6.99
   
        396.16922393 
        396.18553545 
        396.17466110 
   
  
  
       7.35    7.41
       7.92    7.98
   
        406.11819411 
        406.13981998 
        406.12540274 
   
  
  
       7.51    7.57
       8.09    8.15
   
        398.17330424 
        398.21356743 
        398.18672531 
   
  
  
       6.19    6.25
       6.76    6.82
   
        416.03906815 
        416.03435023 
        416.03749551 
   
  
  
       7.44    7.50
       8.03    8.09
   
        414.66223992 
        414.65207755 
        414.65885246 
   
  
  
       6.81    6.86
       7.38    7.44
   
        407.37627002 
        407.36978507 
        407.37410837 
   
  
  
       7.25    7.30
       7.82    7.88
   
        405.47852679 
        405.47221782 
        405.47642380 
   
  
  
       6.78    6.84
       7.37    7.43
   
        392.65664153 
        392.66720010 
        392.66016105 
   
  
  
       7.31    7.38
       7.90    7.97
   
        394.77756145 
        394.76953498 
        394.77488596 
   
  
  
       7.00    7.05
       7.58    7.64
   
        395.64501108 
        395.64842137 
        395.64614784 
   
  
  
       6.66    6.72
       7.26    7.32
   
        394.66097178 
        394.66843528 
        394.66345961 
   
  
  
       6.08    6.14
       6.66    6.72
   
        395.31307102 
        395.31826377 
        395.31480194