vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 12 
  20:59:39 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.99000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      25.32620000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       2103.26511137 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.03948480       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.43624233       0.28495090       0.46626992 
           0.35547394       0.64825631       0.99580828 
           0.11598535       0.81763198       0.78105220 
           0.55338231       0.23583988       0.29689330 
           0.00383078       0.23934099       0.43374902 
           0.25383078       0.23934099       0.31876362 
           0.00383078       0.31225835       0.06436616 
           0.25383078       0.31225835       0.18814648 
           0.00383078       0.38876248       0.43797861 
           0.25383078       0.38876248       0.31453403 
           0.70905263       0.83140102       0.66552235 
           0.75565263       0.51390647       0.48398655 
           0.88897819       0.00594960       0.28648786 
           0.15716346       0.06613739       0.95018829 
           0.25383078       0.23934099       0.81876362 
           0.00383078       0.31225835       0.56436616 
           0.25383078       0.31225835       0.68814648 
           0.00383078       0.38876248       0.93797861 
           0.25383078       0.38876248       0.81453403 
           0.01450948       0.67183464       0.60040281 
           0.67751731       0.51550634       0.29539708 
           0.94054381       0.87580754       0.11030929 
           0.56348984       0.91323691       0.34530699 
           0.50383078       0.23934099       0.43374902 
           0.75383078       0.23934099       0.31876362 
           0.50383078       0.31225835       0.06436616 
           0.75383078       0.31225835       0.18814648 
           0.50383078       0.38876248       0.43797861 
           0.75383078       0.38876248       0.31453403 
           0.61865542       0.13335729       0.98972630 
           0.32779652       0.11812005       0.57189794 
           0.92592172       0.63126988       0.29626824 
           0.01658415       0.59788345       0.11958907 
           0.50383078       0.23934099       0.93374902 
           0.75383078       0.23934099       0.81876362 
           0.75383078       0.31225835       0.68814648 
           0.50383078       0.38876248       0.93797861 
           0.75383078       0.38876248       0.81453403 
           0.76600687       0.82747865       0.80012673 
           0.22355331       0.78825230       0.10821310 
           0.62517716       0.41103136       0.35363491 
           0.75236096       0.89304986       0.78599349 
           0.39719050       0.51136444       0.24344791 
           0.30431660       0.91738635       0.63696393 
           0.93411961       0.11612691       0.86912350 
           0.41940280       0.39348137       0.40561684 
           0.29815579       0.38948515       0.92496072 
           0.74404503       0.57402790       0.67865454 
           0.06200172       0.46858533       0.98087368 
           0.10019002       0.99045369       0.83651476 
           0.38011196       0.65131126       0.77859925 
           0.51090227       0.18359400       0.38952946 
           0.82405483       0.39130755       0.21342080 
           0.64523225       0.88511607       0.69626835 
           0.72621586       0.45609630       0.73299938 
           0.96052716       0.19890859       0.19101432 
           0.41465557       0.39953912       0.58270501 
           0.48286360       0.26790624       0.90786459 
           0.22598761       0.31515120       0.71320360 
           0.49074721       0.48495519       0.14210499 
           0.96314720       0.38389634       0.88862706 
           0.04163983       0.63664358       0.92132595 
           0.24666038       0.70971414       0.55795865 
           0.60617197       0.98517657       0.41186434 
           0.62686409       0.86255686       0.39987883 
           0.49603081       0.25577684       0.88218124 
           0.38994006       0.32364192       0.55369895 
           0.92619366       0.56936052       0.87944209 
           0.14903818       0.82220749       0.37862555 
           0.86085455       0.49772176       0.58496492 
           0.44626438       0.25565217       0.11979657 
           0.56863034       0.56638545       0.70326221 
           0.85601232       0.44656046       0.64050907 
           0.83595003       0.42820880       0.97760722 
           0.12517815       0.60855094       0.41608204 
   
  
  
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          64 
          65 
          66 
          67 
          68 
          69 
          70 
          71 
          72 
          73 
          74 
          75 
  
 
 
  
          3        1        2 
         0.00000000       0.00000000       0.00000000 
         0.33333333       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 
          0.33333333       0.00000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.33333333       0.00000000       0.50000000 
  
  
          0.16666667 
          0.33333333 
          0.16666667 
          0.33333333 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       605.39200000
         0.00001000
       38
       10
      225
       -1
       -1
       294.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     F  
          1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
        60
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000001
           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
      126
       54
       80
      252
      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      0.99000000      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
  
  
        3
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000     35.45300000      1.00000000
         0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      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
        16.82612089
         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
       60
        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  
  
 
 
        75 
         4 
  
   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
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    Cl   3
    Cl   3
    Cl   3
    Cl   3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      40Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      15O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       4Cl     35.45300000      7.00000000  PAW_PBE Cl 06Sep2000                  
      16H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      25.32620000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      2103.26511137 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.03948480       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.43624233       0.28495090       0.46626992 
          0.35547394       0.64825631       0.99580828 
          0.11598535       0.81763198       0.78105220 
          0.55338231       0.23583988       0.29689330 
          0.00383078       0.23934099       0.43374902 
          0.25383078       0.23934099       0.31876362 
          0.00383078       0.31225835       0.06436616 
          0.25383078       0.31225835       0.18814648 
          0.00383078       0.38876248       0.43797861 
          0.25383078       0.38876248       0.31453403 
          0.70905263       0.83140102       0.66552235 
          0.75565263       0.51390647       0.48398655 
          0.88897819       0.00594960       0.28648786 
          0.15716346       0.06613739       0.95018829 
          0.25383078       0.23934099       0.81876362 
          0.00383078       0.31225835       0.56436616 
          0.25383078       0.31225835       0.68814648 
          0.00383078       0.38876248       0.93797861 
          0.25383078       0.38876248       0.81453403 
          0.01450948       0.67183464       0.60040281 
          0.67751731       0.51550634       0.29539708 
          0.94054381       0.87580754       0.11030929 
          0.56348984       0.91323691       0.34530699 
          0.50383078       0.23934099       0.43374902 
          0.75383078       0.23934099       0.31876362 
          0.50383078       0.31225835       0.06436616 
          0.75383078       0.31225835       0.18814648 
          0.50383078       0.38876248       0.43797861 
          0.75383078       0.38876248       0.31453403 
          0.61865542       0.13335729       0.98972630 
          0.32779652       0.11812005       0.57189794 
          0.92592172       0.63126988       0.29626824 
          0.01658415       0.59788345       0.11958907 
          0.50383078       0.23934099       0.93374902 
          0.75383078       0.23934099       0.81876362 
          0.75383078       0.31225835       0.68814648 
          0.50383078       0.38876248       0.93797861 
          0.75383078       0.38876248       0.81453403 
          0.76600687       0.82747865       0.80012673 
          0.22355331       0.78825230       0.10821310 
          0.62517716       0.41103136       0.35363491 
          0.75236096       0.89304986       0.78599349 
          0.39719050       0.51136444       0.24344791 
          0.30431660       0.91738635       0.63696393 
          0.93411961       0.11612691       0.86912350 
          0.41940280       0.39348137       0.40561684 
          0.29815579       0.38948515       0.92496072 
          0.74404503       0.57402790       0.67865454 
          0.06200172       0.46858533       0.98087368 
          0.10019002       0.99045369       0.83651476 
          0.38011196       0.65131126       0.77859925 
          0.51090227       0.18359400       0.38952946 
          0.82405483       0.39130755       0.21342080 
          0.64523225       0.88511607       0.69626835 
          0.72621586       0.45609630       0.73299938 
          0.96052716       0.19890859       0.19101432 
          0.41465557       0.39953912       0.58270501 
          0.48286360       0.26790624       0.90786459 
          0.22598761       0.31515120       0.71320360 
          0.49074721       0.48495519       0.14210499 
          0.96314720       0.38389634       0.88862706 
          0.04163983       0.63664358       0.92132595 
          0.24666038       0.70971414       0.55795865 
          0.60617197       0.98517657       0.41186434 
          0.62686409       0.86255686       0.39987883 
          0.49603081       0.25577684       0.88218124 
          0.38994006       0.32364192       0.55369895 
          0.92619366       0.56936052       0.87944209 
          0.14903818       0.82220749       0.37862555 
          0.86085455       0.49772176       0.58496492 
          0.44626438       0.25565217       0.11979657 
          0.56863034       0.56638545       0.70326221 
          0.85601232       0.44656046       0.64050907 
          0.83595003       0.42820880       0.97760722 
          0.12517815       0.60855094       0.41608204 
  
  
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      29.19   29.22
      32.55   32.58
   
        117.93208328 
      13199.32454443 
     -22963.14794279 
        163.04014943 
      10046.92708312 
      -9370.43527668 
          0.01100860 
       -596.37549276 
      12445.10377463 
       3042.37993126 
       3042.36892266 
       3042.37626173 
   
  
  
      37.46   37.49
      37.47   37.49
   
       1195.77023954 
       1195.75938991 
       1195.76662300 
   
  
  
      37.44   37.49
      37.44   37.49
   
        830.44859338 
        830.44600104 
        830.44772926 
   
  
  
      36.37   36.41
      36.38   36.41
   
        810.74613127 
        810.73412389 
        810.74212881 
   
  
  
      37.89   37.97
      38.40   38.48
   
        810.22437178 
        810.21193611 
        810.22022656 
   
  
  
      37.29   37.35
      39.24   39.30
   
        847.93703541 
        847.89202129 
        847.92203070 
   
  
  
      45.26   45.31
      46.81   46.86
   
       -102.95369448 
       -102.97529832 
       -102.96089576 
   
  
  
      45.73   45.75
      47.34   47.37
   
        592.81372714 
        592.80465372 
        592.81070266 
   
  
  
      44.29   44.33
      45.96   46.00
   
        600.34350421 
        600.34814830 
        600.34505224 
   
  
  
      37.05   37.11
      38.79   38.84
   
        902.43454057 
        902.42103795 
        902.43003970 
   
  
  
      37.11   37.14
      38.58   38.61
   
       1003.44218129 
       1003.44748877 
       1003.44395045 
   
  
  
      34.27   34.32
      35.84   35.89
   
        996.09578640 
        996.10107142 
        996.09754807 
   
  
  
      36.04   36.10
      37.60   37.66
   
        999.40000157 
        999.38911429 
        999.39637247 
   
  
  
      35.29   35.32
      36.94   36.96
   
        997.96552406 
        997.96189278 
        997.96431363 
   
  
  
      32.16   32.23
      34.57   34.64
   
       1003.21711512 
       1003.21521302 
       1003.21648108 
   
  
  
      35.08   35.16
      37.18   37.26
   
        972.91162652 
        972.85346841 
        972.89224049 
   
  
  
      34.36   34.41
      36.24   36.28
   
        964.23568452 
        964.22010779 
        964.23049228 
   
  
  
      33.76   33.83
      35.60   35.67
   
        979.80246488 
        979.78662259 
        979.79718411 
   
  
  
      34.98   35.04
      36.87   36.93
   
        979.11522331 
        979.12801478 
        979.11948714 
   
  
  
      31.65   31.71
      33.36   33.42
   
        973.64385104 
        973.66870954 
        973.65213721 
   
  
  
      35.85   35.88
      37.48   37.51
   
        973.40355876 
        973.43393395 
        973.41368382 
   
  
  
      37.29   37.35
      38.92   38.98
   
        971.41626910 
        971.39759649 
        971.41004490 
   
  
  
      37.42   37.48
      38.95   39.01
   
        972.16590053 
        972.15161556 
        972.16113888 
   
  
  
      30.93   30.98
      32.60   32.65
   
        972.67391999 
        972.65986008 
        972.66923335 
   
  
  
      32.50   32.57
      34.02   34.09
   
        974.55116938 
        974.54803069 
        974.55012315 
   
  
  
      33.12   33.17
      34.68   34.73
   
        987.14931381 
        987.20168509 
        987.16677090 
   
  
  
      32.34   32.40
      33.90   33.95
   
        991.27888912 
        991.33532988 
        991.29770270 
   
  
  
      31.73   31.77
      33.43   33.47
   
        989.84233027 
        989.88182945 
        989.85549666 
   
  
  
      33.10   33.14
      34.67   34.71
   
        988.79051096 
        988.86839598 
        988.81647263 
   
  
  
      32.58   32.64
      34.28   34.34
   
        988.84578310 
        988.92814107 
        988.87323576 
   
  
  
      32.65   32.72
      34.43   34.50
   
        987.80438312 
        987.86287704 
        987.82388109