vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 12 
  20:59:42 
 
 
  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 
    
   
   
           0.94107660       0.51214593       0.44301072 
           0.42463955       0.86045554       0.42924557 
           0.29947208       0.01281604       0.60317913 
           0.95485371       0.61526615       0.95207703 
           0.00212821       0.23835055       0.43319065 
           0.25212821       0.23835055       0.31820525 
           0.00212821       0.31126791       0.06380779 
           0.25212821       0.31126791       0.18758811 
           0.00212821       0.38777204       0.43742024 
           0.25212821       0.38777204       0.31397566 
           0.30731427       0.51320975       0.69914503 
           0.22726267       0.04502245       0.83827128 
           0.04413960       0.89197288       0.54256163 
           0.48368420       0.90286387       0.89838389 
           0.25212821       0.23835055       0.81820525 
           0.00212821       0.31126791       0.56380779 
           0.25212821       0.31126791       0.68758811 
           0.00212821       0.38777204       0.93742024 
           0.25212821       0.38777204       0.81397566 
           0.69130622       0.26185785       0.41694255 
           0.88400253       0.12481503       0.34727169 
           0.57402244       0.69347258       0.77668857 
           0.05443502       0.23387615       0.98567125 
           0.50212821       0.23835055       0.43319065 
           0.75212821       0.23835055       0.31820525 
           0.50212821       0.31126791       0.06380779 
           0.75212821       0.31126791       0.18758811 
           0.50212821       0.38777204       0.43742024 
           0.75212821       0.38777204       0.31397566 
           0.56467720       0.68695806       0.64496696 
           0.01603811       0.86226400       0.90311236 
           0.32252531       0.23645460       0.47318656 
           0.48508092       0.06770764       0.43740242 
           0.50212821       0.23835055       0.93319065 
           0.75212821       0.23835055       0.81820525 
           0.75212821       0.31126791       0.68758811 
           0.50212821       0.38777204       0.93742024 
           0.75212821       0.38777204       0.81397566 
           0.20456466       0.97113628       0.07918894 
           0.10418166       0.26823520       0.98277480 
           0.28114828       0.55267865       0.42758044 
           0.71739807       0.66456597       0.34755707 
           0.27057070       0.27434903       0.32567502 
           0.30286177       0.69992238       0.40069948 
           0.77317546       0.90529415       0.63318629 
           0.59665115       0.37994499       0.44018516 
           0.41855786       0.08316468       0.67559679 
           0.31135711       0.36098916       0.11705400 
           0.23352034       0.23454856       0.33521654 
           0.05235037       0.75168802       0.68495255 
           0.63798154       0.52116921       0.54901069 
           0.44435805       0.82318282       0.89786918 
           0.79309094       0.78130875       0.09226542 
           0.40760887       0.32076286       0.75862373 
           0.43343701       0.48321629       0.06069658 
           0.15072088       0.35548768       0.10637617 
           0.54361066       0.42420499       0.48458863 
           0.84001977       0.17896837       0.57049833 
           0.92774489       0.50612267       0.61544643 
           0.26191837       0.32153239       0.57338433 
           0.84477641       0.07168169       0.60159508 
           0.81642113       0.35601501       0.22238990 
           0.29257711       0.27869938       0.29906905 
           0.73103284       0.60900539       0.54973210 
           0.25128250       0.16147644       0.54264316 
           0.29494917       0.36449827       0.01387667 
           0.96737755       0.75418844       0.44870870 
           0.05292180       0.90247238       0.93438169 
           0.84387701       0.26084349       0.35188705 
           0.86611544       0.39875135       0.45786792 
           0.99315806       0.80815930       0.44554349 
           0.02160843       0.64562883       0.67695289 
           0.35676538       0.55787531       0.37470228 
           0.32658103       0.44317236       0.16453699 
           0.24153163       0.09486814       0.72548966 
   
  
  
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          47 
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          49 
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          53 
          54 
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          58 
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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 
   
  
  
          0.94107660       0.51214593       0.44301072 
          0.42463955       0.86045554       0.42924557 
          0.29947208       0.01281604       0.60317913 
          0.95485371       0.61526615       0.95207703 
          0.00212821       0.23835055       0.43319065 
          0.25212821       0.23835055       0.31820525 
          0.00212821       0.31126791       0.06380779 
          0.25212821       0.31126791       0.18758811 
          0.00212821       0.38777204       0.43742024 
          0.25212821       0.38777204       0.31397566 
          0.30731427       0.51320975       0.69914503 
          0.22726267       0.04502245       0.83827128 
          0.04413960       0.89197288       0.54256163 
          0.48368420       0.90286387       0.89838389 
          0.25212821       0.23835055       0.81820525 
          0.00212821       0.31126791       0.56380779 
          0.25212821       0.31126791       0.68758811 
          0.00212821       0.38777204       0.93742024 
          0.25212821       0.38777204       0.81397566 
          0.69130622       0.26185785       0.41694255 
          0.88400253       0.12481503       0.34727169 
          0.57402244       0.69347258       0.77668857 
          0.05443502       0.23387615       0.98567125 
          0.50212821       0.23835055       0.43319065 
          0.75212821       0.23835055       0.31820525 
          0.50212821       0.31126791       0.06380779 
          0.75212821       0.31126791       0.18758811 
          0.50212821       0.38777204       0.43742024 
          0.75212821       0.38777204       0.31397566 
          0.56467720       0.68695806       0.64496696 
          0.01603811       0.86226400       0.90311236 
          0.32252531       0.23645460       0.47318656 
          0.48508092       0.06770764       0.43740242 
          0.50212821       0.23835055       0.93319065 
          0.75212821       0.23835055       0.81820525 
          0.75212821       0.31126791       0.68758811 
          0.50212821       0.38777204       0.93742024 
          0.75212821       0.38777204       0.81397566 
          0.20456466       0.97113628       0.07918894 
          0.10418166       0.26823520       0.98277480 
          0.28114828       0.55267865       0.42758044 
          0.71739807       0.66456597       0.34755707 
          0.27057070       0.27434903       0.32567502 
          0.30286177       0.69992238       0.40069948 
          0.77317546       0.90529415       0.63318629 
          0.59665115       0.37994499       0.44018516 
          0.41855786       0.08316468       0.67559679 
          0.31135711       0.36098916       0.11705400 
          0.23352034       0.23454856       0.33521654 
          0.05235037       0.75168802       0.68495255 
          0.63798154       0.52116921       0.54901069 
          0.44435805       0.82318282       0.89786918 
          0.79309094       0.78130875       0.09226542 
          0.40760887       0.32076286       0.75862373 
          0.43343701       0.48321629       0.06069658 
          0.15072088       0.35548768       0.10637617 
          0.54361066       0.42420499       0.48458863 
          0.84001977       0.17896837       0.57049833 
          0.92774489       0.50612267       0.61544643 
          0.26191837       0.32153239       0.57338433 
          0.84477641       0.07168169       0.60159508 
          0.81642113       0.35601501       0.22238990 
          0.29257711       0.27869938       0.29906905 
          0.73103284       0.60900539       0.54973210 
          0.25128250       0.16147644       0.54264316 
          0.29494917       0.36449827       0.01387667 
          0.96737755       0.75418844       0.44870870 
          0.05292180       0.90247238       0.93438169 
          0.84387701       0.26084349       0.35188705 
          0.86611544       0.39875135       0.45786792 
          0.99315806       0.80815930       0.44554349 
          0.02160843       0.64562883       0.67695289 
          0.35676538       0.55787531       0.37470228 
          0.32658103       0.44317236       0.16453699 
          0.24153163       0.09486814       0.72548966 
  
  
     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 
  
 
 
  
      29.54   29.55
      32.07   32.08
   
        117.93208328 
      13328.87268662 
     -22757.05460064 
        166.49379104 
      10046.92708312 
      -9370.43527668 
         -0.01240254 
       -839.22518732 
      12445.10377463 
       3138.60195150 
       3138.61435404 
       3138.60608568 
   
  
  
      37.01   37.02
      37.01   37.02
   
       1197.88200833 
       1197.88119803 
       1197.88173823 
   
  
  
      34.36   34.39
      34.36   34.39
   
        887.48542141 
        887.49513493 
        887.48865925 
   
  
  
      37.55   37.61
      37.55   37.62
   
        873.13690671 
        873.14539281 
        873.13973541 
   
  
  
      37.42   37.46
      37.73   37.77
   
        872.74143062 
        872.74938654 
        872.74408259 
   
  
  
      31.87   31.93
      33.59   33.66
   
        976.87147161 
        976.90565773 
        976.88286698 
   
  
  
      41.75   41.78
      43.11   43.14
   
      -1089.26373867 
      -1089.25383914 
      -1089.26043883 
   
  
  
      42.83   42.88
      44.82   44.87
   
        770.37469211 
        770.35959266 
        770.36965896 
   
  
  
      37.14   37.18
      39.45   39.49
   
        955.36620508 
        955.36339925 
        955.36526981 
   
  
  
      35.55   35.60
      37.10   37.15
   
       1006.89412679 
       1006.92474026 
       1006.90433128 
   
  
  
      33.83   33.88
      35.44   35.49
   
       1027.09069974 
       1027.13121600 
       1027.10420516 
   
  
  
      35.38   35.42
      36.87   36.92
   
        982.92973195 
        982.91569407 
        982.92505266 
   
  
  
      32.60   32.65
      34.18   34.24
   
       1060.30213425 
       1060.24364026 
       1060.28263625 
   
  
  
      32.47   32.51
      34.06   34.11
   
       1075.14713066 
       1075.08434669 
       1075.12620267 
   
  
  
      33.39   33.45
      34.81   34.89
   
       1049.21082584 
       1049.18852641 
       1049.20339270 
   
  
  
      34.60   34.64
      36.13   36.18
   
       1024.10028111 
       1024.10791875 
       1024.10282699 
   
  
  
      33.33   33.39
      34.86   34.92
   
       1044.22411224 
       1044.23701298 
       1044.22841249 
   
  
  
      33.87   33.93
      35.34   35.41
   
       1048.17654071 
       1048.15751425 
       1048.17019856 
   
  
  
      33.24   33.29
      34.86   34.91
   
       1046.33065607 
       1046.28593858 
       1046.31575024 
   
  
  
      33.75   33.81
      35.46   35.53
   
       1051.35792320 
       1051.36984954 
       1051.36189864 
   
  
  
      32.88   32.93
      34.64   34.69
   
       1053.93090915 
       1054.00372196 
       1053.95518009 
   
  
  
      31.33   31.40
      32.99   33.06
   
       1053.74600669 
       1053.71357614 
       1053.73519651 
   
  
  
      31.18   31.22
      32.98   33.03
   
       1053.93516849 
       1053.89739197 
       1053.92257631 
   
  
  
      35.78   35.82
      37.36   37.40
   
       1054.00342352 
       1053.96719428 
       1053.99134711 
   
  
  
      34.45   34.50
      36.26   36.31
   
       1053.80619441 
       1053.77627289 
       1053.79622057 
   
  
  
      30.87   30.92
      32.65   32.71
   
       1053.82322167 
       1053.77795717 
       1053.80813350 
   
  
  
      33.10   33.16
      34.66   34.72
   
       1053.20958679 
       1053.17354150 
       1053.19757170 
   
  
  
      30.77   30.81
      32.32   32.36
   
       1053.14502009 
       1053.10059330 
       1053.13021116 
   
  
  
      30.78   30.86
      32.48   32.55
   
       1053.22753525 
       1053.17832253 
       1053.21113101 
   
  
  
      31.00   31.06
      32.56   32.62
   
       1053.44804853 
       1053.36986587 
       1053.42198764 
   
  
  
      31.72   31.77
      33.23   33.28
   
       1053.40704783 
       1053.32823715 
       1053.38077760 
   
  
  
      30.38   30.42
      31.87   31.90
   
       1053.42398820 
       1053.34505455 
       1053.39767699 
   
  
  
      28.99   29.04
      30.56   30.61
   
       1053.47238359 
       1053.42098049 
       1053.45524922 
   
  
  
      27.86   27.92
      29.29   29.36
   
       1053.36129980 
       1053.30402200 
       1053.34220720 
   
  
  
      27.96   28.00
      29.40   29.44
   
       1053.29252352 
       1053.24247194 
       1053.27583966 
   
  
  
      28.70   28.74
      30.22   30.26
   
       1053.34055321 
       1053.30273290 
       1053.32794644 
   
  
  
      27.80   27.87
      29.42   29.49
   
       1054.97751644 
       1054.93303645 
       1054.96268978 
   
  
  
      28.92   28.97
      30.84   30.89
   
       1078.77577625 
       1078.74391324 
       1078.76515525 
   
  
  
      28.89   28.95
      30.99   31.04
   
       1081.70525556 
       1081.68167755 
       1081.69739622 
   
  
  
      29.31   29.38
      31.62   31.69
   
       1080.55995367 
       1080.56245778 
       1080.56078837 
   
  
  
      27.63   27.66
      29.61   29.64
   
       1090.88431556 
       1090.89547955 
       1090.88803689 
   
  
  
      27.49   27.53
      29.42   29.46
   
       1092.50706929 
       1092.52377624 
       1092.51263827