vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 12 
  20:27:53 
 
 
  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 
    
   
   
           0.00542509       0.46231602       0.07921178 
           0.01534147       0.58057257       0.50931323 
           0.28105450       0.45817035       0.17022572 
           0.18003882       0.57663054       0.24473361 
           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 
           0.00988909       0.46853296       0.57989245 
           0.01345430       0.56198671       0.98930342 
           0.25231083       0.46459987       0.69982870 
           0.24330588       0.57327004       0.78804996 
           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 
           0.52684537       0.47164724       0.05967819 
           0.51166713       0.53284659       0.42434832 
           0.77561530       0.45913712       0.18211352 
           0.80841255       0.54389018       0.25923212 
           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 
           0.51463034       0.43571905       0.60516628 
           0.50637269       0.57962662       0.97704026 
           0.77196448       0.46741151       0.69662541 
           0.76628724       0.54174497       0.84484823 
           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 
           0.14621348       0.69730159       0.74533864 
           0.65303272       0.75168035       0.62833193 
           0.28657893       0.53057249       0.78718404 
           0.99767313       0.27489871       0.71114963 
           0.07189415       0.59464443       0.36561238 
           0.21054693       0.58995613       0.34609670 
           0.06775306       0.58195685       0.99386416 
           0.95520335       0.46862017       0.19995542 
           0.49693553       0.59019702       0.96524657 
           0.72966764       0.47752126       0.96942592 
           0.99495742       0.21556264       0.55593113 
           0.25313021       0.20773857       0.24493775 
           0.29376656       0.19777827       0.78772199 
           0.60614034       0.20717467       0.40139700 
           0.78015112       0.19730713       0.24672985 
           0.52979264       0.19238034       0.04518646 
           0.78691936       0.19238248       0.80124717 
           0.25270997       0.70987150       0.87538987 
           0.71149656       0.77533644       0.14432335 
           0.84113965       0.68039772       0.82406909 
           0.90157680       0.84807376       0.00106706 
           0.08465581       0.57776158       0.65597860 
           0.19385462       0.59738939       0.16553892 
           0.94501677       0.59861942       0.10491112 
           0.57063248       0.70066870       0.27451014 
           0.39488995       0.60385183       0.12253508 
           0.78324674       0.44748779       0.93425539 
           0.13843926       0.69367442       0.69748149 
           0.72948151       0.02805060       0.58673090 
           0.03845512       0.13594815       0.45833463 
           0.28631320       0.17784969       0.21155388 
           0.11912579       0.18600828       0.64981965 
           0.41520325       0.18326984       0.61535659 
           0.75926816       0.17431251       0.23809457 
           0.56579180       0.18504665       0.08249262 
           0.84403549       0.18153129       0.67301533 
           0.01183735       0.43733514       0.53252190 
   
  
  
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          49 
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          54 
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          61 
          62 
          63 
          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 
   
  
  
          0.00542509       0.46231602       0.07921178 
          0.01534147       0.58057257       0.50931323 
          0.28105450       0.45817035       0.17022572 
          0.18003882       0.57663054       0.24473361 
          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 
          0.00988909       0.46853296       0.57989245 
          0.01345430       0.56198671       0.98930342 
          0.25231083       0.46459987       0.69982870 
          0.24330588       0.57327004       0.78804996 
          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 
          0.52684537       0.47164724       0.05967819 
          0.51166713       0.53284659       0.42434832 
          0.77561530       0.45913712       0.18211352 
          0.80841255       0.54389018       0.25923212 
          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 
          0.51463034       0.43571905       0.60516628 
          0.50637269       0.57962662       0.97704026 
          0.77196448       0.46741151       0.69662541 
          0.76628724       0.54174497       0.84484823 
          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 
          0.14621348       0.69730159       0.74533864 
          0.65303272       0.75168035       0.62833193 
          0.28657893       0.53057249       0.78718404 
          0.99767313       0.27489871       0.71114963 
          0.07189415       0.59464443       0.36561238 
          0.21054693       0.58995613       0.34609670 
          0.06775306       0.58195685       0.99386416 
          0.95520335       0.46862017       0.19995542 
          0.49693553       0.59019702       0.96524657 
          0.72966764       0.47752126       0.96942592 
          0.99495742       0.21556264       0.55593113 
          0.25313021       0.20773857       0.24493775 
          0.29376656       0.19777827       0.78772199 
          0.60614034       0.20717467       0.40139700 
          0.78015112       0.19730713       0.24672985 
          0.52979264       0.19238034       0.04518646 
          0.78691936       0.19238248       0.80124717 
          0.25270997       0.70987150       0.87538987 
          0.71149656       0.77533644       0.14432335 
          0.84113965       0.68039772       0.82406909 
          0.90157680       0.84807376       0.00106706 
          0.08465581       0.57776158       0.65597860 
          0.19385462       0.59738939       0.16553892 
          0.94501677       0.59861942       0.10491112 
          0.57063248       0.70066870       0.27451014 
          0.39488995       0.60385183       0.12253508 
          0.78324674       0.44748779       0.93425539 
          0.13843926       0.69367442       0.69748149 
          0.72948151       0.02805060       0.58673090 
          0.03845512       0.13594815       0.45833463 
          0.28631320       0.17784969       0.21155388 
          0.11912579       0.18600828       0.64981965 
          0.41520325       0.18326984       0.61535659 
          0.75926816       0.17431251       0.23809457 
          0.56579180       0.18504665       0.08249262 
          0.84403549       0.18153129       0.67301533 
          0.01183735       0.43733514       0.53252190 
  
  
     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 
  
 
 
  
      29.82   29.86
      33.06   33.09
   
        117.93208328 
      24492.39418728 
     -34196.85577187 
        177.10186372 
      10046.92708312 
      -9370.43527668 
          0.01333444 
       -850.20359924 
      12445.10377463 
       2861.97767867 
       2861.96434423 
       2861.97323386 
   
  
  
      35.98   35.99
      35.98   35.99
   
        784.26893400 
        784.26565653 
        784.26784151 
   
  
  
      33.68   33.70
      33.69   33.70
   
        473.20604254 
        473.24715261 
        473.21974590 
   
  
  
      34.56   34.59
      34.56   34.59
   
        463.41506241 
        463.46042320 
        463.43018267 
   
  
  
      36.18   36.22
      36.57   36.62
   
        463.15211393 
        463.19738858 
        463.16720548 
   
  
  
      32.21   32.25
      34.43   34.47
   
        654.84191115 
        654.91627320 
        654.86669850 
   
  
  
      35.72   35.76
      37.70   37.74
   
        481.23119948 
        481.22613606 
        481.22951167 
   
  
  
      36.90   36.95
      38.88   38.93
   
       -270.30715536 
       -270.27516835 
       -270.29649302 
   
  
  
      38.63   38.66
      40.21   40.25
   
      -1290.40352320 
      -1290.40616109 
      -1290.40440249 
   
  
  
      43.81   43.86
      45.41   45.46
   
        190.54324119 
        190.54154190 
        190.54267476 
   
  
  
      39.47   39.51
      41.09   41.12
   
       -104.97322977 
       -105.00619075 
       -104.98421676 
   
  
  
      35.90   35.94
      37.76   37.80
   
        -21.58087820 
        -21.60373556 
        -21.58849732 
   
  
  
      34.63   34.65
      36.30   36.33
   
         69.69860000 
         69.71379846 
         69.70366615 
   
  
  
      37.41   37.46
      38.90   38.96
   
        384.60104937 
        384.58990977 
        384.59733617 
   
  
  
      39.53   39.58
      41.18   41.22
   
        663.32285828 
        663.28913458 
        663.31161705 
   
  
  
      39.32   39.36
      41.23   41.27
   
        656.39460387 
        656.41200391 
        656.40040388 
   
  
  
      35.43   35.47
      36.91   36.95
   
        638.52506411 
        638.51409521 
        638.52140781 
   
  
  
      34.74   34.79
      36.24   36.29
   
        642.33113742 
        642.32615252 
        642.32947579 
   
  
  
      33.82   33.86
      35.57   35.61
   
        640.04097721 
        640.03166905 
        640.03787449 
   
  
  
      33.78   33.81
      35.29   35.32
   
        642.42564884 
        642.40808713 
        642.41979494 
   
  
  
      31.36   31.43
      32.94   33.01
   
        660.25058534 
        660.25272643 
        660.25129904 
   
  
  
      34.09   34.14
      35.69   35.75
   
        667.27125563 
        667.25225239 
        667.26492122 
   
  
  
      35.98   36.06
      37.60   37.67
   
        665.84744639 
        665.84422848 
        665.84637375 
   
  
  
      32.87   32.93
      34.54   34.60
   
        654.32903963 
        654.31523476 
        654.32443801 
   
  
  
      33.17   33.27
      34.69   34.79
   
        676.45513260 
        676.44636265 
        676.45220928