vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 12 
  19:16:02 
 
 
  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 
    
   
   
           0.03373908       0.47093359       0.08065537 
           0.02564760       0.55621617       0.43970502 
           0.29742320       0.46234921       0.18058900 
           0.27918898       0.53932215       0.28887351 
           0.00127693       0.23785534       0.43291147 
           0.25127693       0.23785534       0.31792607 
           0.00127693       0.31077270       0.06352861 
           0.25127693       0.31077270       0.18730893 
           0.00127693       0.38727683       0.43714106 
           0.25127693       0.38727683       0.31369648 
           0.03452029       0.47115165       0.56203290 
           0.02507446       0.56289932       0.97412596 
           0.27428974       0.46863478       0.70766915 
           0.24988230       0.55529983       0.82092270 
           0.25127693       0.23785534       0.81792607 
           0.00127693       0.31077270       0.56352861 
           0.25127693       0.31077270       0.68730893 
           0.00127693       0.38727683       0.93714106 
           0.25127693       0.38727683       0.81369648 
           0.53767711       0.47492742       0.04439046 
           0.40456975       0.58122447       0.42805634 
           0.74265285       0.47597438       0.21657346 
           0.68935657       0.57371522       0.38046739 
           0.50127693       0.23785534       0.43291147 
           0.75127693       0.23785534       0.31792607 
           0.50127693       0.31077270       0.06352861 
           0.75127693       0.31077270       0.18730893 
           0.50127693       0.38727683       0.43714106 
           0.75127693       0.38727683       0.31369648 
           0.52898631       0.50686223       0.56781118 
           0.49052444       0.57038272       0.95596687 
           0.78890735       0.47088273       0.69312285 
           0.77418111       0.54681955       0.85291393 
           0.50127693       0.23785534       0.93291147 
           0.75127693       0.23785534       0.81792607 
           0.75127693       0.31077270       0.68730893 
           0.50127693       0.38727683       0.93714106 
           0.75127693       0.38727683       0.81369648 
           0.15413051       0.67495402       0.76707003 
           0.57979516       0.73997810       0.19127797 
           0.24549738       0.60043146       0.74925804 
           0.67171308       0.61686173       0.28311042 
           0.02979599       0.61013939       0.47216113 
           0.28457820       0.60394741       0.27412080 
           0.06098846       0.60698564       0.03400728 
           0.84540028       0.57056017       0.21005166 
           0.51430600       0.61554979       0.98266894 
           0.74324644       0.48928075       0.96131837 
           0.99143068       0.20844057       0.55146480 
           0.25484142       0.18704045       0.24590582 
           0.33729038       0.19127915       0.74283275 
           0.51152313       0.19324098       0.54217166 
           0.74654692       0.20611390       0.20175596 
           0.46743320       0.19470051       0.02309412 
           0.79182963       0.18654017       0.81924189 
           0.29683872       0.72138222       0.89095050 
           0.54728372       0.75137950       0.16455680 
           0.87642904       0.69201354       0.80969682 
           0.93423123       0.74581501       0.54306768 
           0.11772723       0.59258534       0.64888600 
           0.19514181       0.60489268       0.14820532 
           0.92220184       0.60569732       0.12742848 
           0.69341389       0.65785789       0.27517604 
           0.43526227       0.61456531       0.12890284 
           0.79453538       0.45701868       0.93645736 
           0.15085910       0.70283667       0.68577628 
           0.47425427       0.55617735       0.88881782 
           0.05283134       0.14260641       0.46612464 
           0.35704811       0.19344817       0.14057082 
           0.14302211       0.18966013       0.66235225 
           0.43145029       0.20628112       0.62853833 
           0.81381559       0.14593226       0.27501325 
           0.63000330       0.19124306       0.11002491 
           0.89674522       0.18984528       0.64666602 
           0.35152680       0.14054609       0.27450686 
   
  
  
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          64 
          65 
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          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 
   
  
  
          0.03373908       0.47093359       0.08065537 
          0.02564760       0.55621617       0.43970502 
          0.29742320       0.46234921       0.18058900 
          0.27918898       0.53932215       0.28887351 
          0.00127693       0.23785534       0.43291147 
          0.25127693       0.23785534       0.31792607 
          0.00127693       0.31077270       0.06352861 
          0.25127693       0.31077270       0.18730893 
          0.00127693       0.38727683       0.43714106 
          0.25127693       0.38727683       0.31369648 
          0.03452029       0.47115165       0.56203290 
          0.02507446       0.56289932       0.97412596 
          0.27428974       0.46863478       0.70766915 
          0.24988230       0.55529983       0.82092270 
          0.25127693       0.23785534       0.81792607 
          0.00127693       0.31077270       0.56352861 
          0.25127693       0.31077270       0.68730893 
          0.00127693       0.38727683       0.93714106 
          0.25127693       0.38727683       0.81369648 
          0.53767711       0.47492742       0.04439046 
          0.40456975       0.58122447       0.42805634 
          0.74265285       0.47597438       0.21657346 
          0.68935657       0.57371522       0.38046739 
          0.50127693       0.23785534       0.43291147 
          0.75127693       0.23785534       0.31792607 
          0.50127693       0.31077270       0.06352861 
          0.75127693       0.31077270       0.18730893 
          0.50127693       0.38727683       0.43714106 
          0.75127693       0.38727683       0.31369648 
          0.52898631       0.50686223       0.56781118 
          0.49052444       0.57038272       0.95596687 
          0.78890735       0.47088273       0.69312285 
          0.77418111       0.54681955       0.85291393 
          0.50127693       0.23785534       0.93291147 
          0.75127693       0.23785534       0.81792607 
          0.75127693       0.31077270       0.68730893 
          0.50127693       0.38727683       0.93714106 
          0.75127693       0.38727683       0.81369648 
          0.15413051       0.67495402       0.76707003 
          0.57979516       0.73997810       0.19127797 
          0.24549738       0.60043146       0.74925804 
          0.67171308       0.61686173       0.28311042 
          0.02979599       0.61013939       0.47216113 
          0.28457820       0.60394741       0.27412080 
          0.06098846       0.60698564       0.03400728 
          0.84540028       0.57056017       0.21005166 
          0.51430600       0.61554979       0.98266894 
          0.74324644       0.48928075       0.96131837 
          0.99143068       0.20844057       0.55146480 
          0.25484142       0.18704045       0.24590582 
          0.33729038       0.19127915       0.74283275 
          0.51152313       0.19324098       0.54217166 
          0.74654692       0.20611390       0.20175596 
          0.46743320       0.19470051       0.02309412 
          0.79182963       0.18654017       0.81924189 
          0.29683872       0.72138222       0.89095050 
          0.54728372       0.75137950       0.16455680 
          0.87642904       0.69201354       0.80969682 
          0.93423123       0.74581501       0.54306768 
          0.11772723       0.59258534       0.64888600 
          0.19514181       0.60489268       0.14820532 
          0.92220184       0.60569732       0.12742848 
          0.69341389       0.65785789       0.27517604 
          0.43526227       0.61456531       0.12890284 
          0.79453538       0.45701868       0.93645736 
          0.15085910       0.70283667       0.68577628 
          0.47425427       0.55617735       0.88881782 
          0.05283134       0.14260641       0.46612464 
          0.35704811       0.19344817       0.14057082 
          0.14302211       0.18966013       0.66235225 
          0.43145029       0.20628112       0.62853833 
          0.81381559       0.14593226       0.27501325 
          0.63000330       0.19124306       0.11002491 
          0.89674522       0.18984528       0.64666602 
          0.35152680       0.14054609       0.27450686 
  
  
     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 
  
 
 
  
      29.24   29.25
      31.85   31.86
   
        117.93208328 
      21088.57340858 
     -31764.49389701 
        171.24725149 
      10046.92708312 
      -9370.43527668 
         -0.00119596 
       -546.16530709 
      12445.10377463 
       2188.68792435 
       2188.68912032 
       2188.68832301 
   
  
  
      35.52   35.55
      35.53   35.55
   
        418.56342186 
        418.55052681 
        418.55912351 
   
  
  
      34.44   34.48
      34.44   34.49
   
        128.36541735 
        128.36892885 
        128.36658785 
   
  
  
      34.24   34.28
      34.24   34.29
   
        116.43981529 
        116.45292076 
        116.44418378 
   
  
  
      36.68   36.72
      37.06   37.10
   
        116.13351152 
        116.14802353 
        116.13834886 
   
  
  
      33.84   33.90
      35.94   36.00
   
        261.65256014 
        261.66323109 
        261.65611712 
   
  
  
      35.29   35.34
      36.88   36.93
   
         81.99397865 
         82.00356091 
         81.99717274 
   
  
  
      39.84   39.88
      41.41   41.45
   
      -1033.06059564 
      -1033.04806012 
      -1033.05641713 
   
  
  
      36.11   36.17
      37.65   37.72
   
        242.33058505 
        242.32942358 
        242.33019790 
   
  
  
      36.28   36.33
      37.83   37.88
   
        225.73138352 
        225.76298068 
        225.74191591 
   
  
  
      37.84   37.89
      39.61   39.66
   
        215.56251241 
        215.56528352 
        215.56343611 
   
  
  
      33.25   33.30
      34.75   34.82
   
        233.02233711 
        233.00821569 
        233.01762997 
   
  
  
      33.67   33.70
      35.35   35.39
   
        229.81871795 
        229.78801381 
        229.80848324 
   
  
  
      33.56   33.60
      35.55   35.59
   
        217.53032523 
        217.54590683 
        217.53551909 
   
  
  
      34.39   34.46
      36.23   36.30
   
        211.51409625 
        211.50204934 
        211.51008061 
   
  
  
      34.09   34.13
      35.62   35.66
   
        202.32880892 
        202.35582704 
        202.33781496 
   
  
  
      33.78   33.87
      35.55   35.63
   
        198.23314106 
        198.27349738 
        198.24659317 
   
  
  
      33.46   33.50
      35.23   35.27
   
        193.33786184 
        193.35964469 
        193.34512279 
   
  
  
      34.68   34.73
      36.43   36.48
   
        190.64726511 
        190.66346538 
        190.65266520 
   
  
  
      34.81   34.84
      36.31   36.35
   
        190.02945661 
        190.04002845 
        190.03298055