vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 11 
  23:51:23 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.77000000      0.32000000      0.99000000
  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 
    
   
   
           0.01061992       0.46036831       0.07109893 
           0.00807569       0.53794171       0.44304337 
           0.24781340       0.46322505       0.20345098 
           0.25288805       0.54333112       0.31689272 
           0.99755100       0.23527265       0.43605904 
           0.24755100       0.23527265       0.32107364 
           0.99755100       0.30819001       0.06667618 
           0.24755100       0.30819001       0.19045650 
           0.99755100       0.38469414       0.44028863 
           0.24755100       0.38469414       0.31684405 
           0.00847668       0.46082288       0.56241966 
           0.00384394       0.53931910       0.95073030 
           0.25289306       0.46600111       0.69589980 
           0.24106496       0.54614406       0.82084345 
           0.24755100       0.23527265       0.82107364 
           0.99755100       0.30819001       0.56667618 
           0.24755100       0.30819001       0.69045650 
           0.99755100       0.38469414       0.94028863 
           0.24755100       0.38469414       0.81684405 
           0.48359456       0.46212674       0.06881631 
           0.50636590       0.54267248       0.43536295 
           0.74687024       0.46055887       0.19336897 
           0.75897612       0.53663221       0.31550771 
           0.49755100       0.23527265       0.43605904 
           0.74755100       0.23527265       0.32107364 
           0.49755100       0.30819001       0.06667618 
           0.74755100       0.30819001       0.19045650 
           0.49755100       0.38469414       0.44028863 
           0.74755100       0.38469414       0.31684405 
           0.49388138       0.46436954       0.55778791 
           0.48652816       0.54374443       0.94914310 
           0.74850793       0.45963015       0.67258272 
           0.74551080       0.52264190       0.83838964 
           0.49755100       0.23527265       0.93605904 
           0.74755100       0.23527265       0.82107364 
           0.74755100       0.30819001       0.69045650 
           0.49755100       0.38469414       0.94028863 
           0.74755100       0.38469414       0.81684405 
           0.20108394       0.67064038       0.77601692 
           0.59511455       0.66029889       0.52520487 
           0.20940229       0.60620368       0.75150715 
           0.51208094       0.60336748       0.50007158 
           0.99138943       0.58850399       0.54062447 
           0.23802659       0.59956110       0.23953814 
           0.01116846       0.59338091       0.03490591 
           0.75577992       0.58882060       0.21268532 
           0.48323507       0.59501327       0.04704224 
           0.73047626       0.46114748       0.90925343 
           0.16483973       0.70392631       0.62736987 
           0.51540413       0.74737524       0.52523719 
           0.22057542       0.72192969       0.53682610 
           0.02703988       0.70039375       0.60976183 
           0.60570693       0.77976826       0.51396579 
           0.19652026       0.74561953       0.63541830 
           0.45195550       0.74546017       0.44112550 
           0.45876640       0.75023707       0.61094376 
           0.07516058       0.59164811       0.60894246 
           0.30402530       0.60280348       0.16168360 
           0.92924983       0.59545951       0.10497300 
           0.75880566       0.62298228       0.25707865 
           0.58463833       0.59556303       0.10448546 
           0.75906695       0.46149976       0.99938116 
           0.42170243       0.69632619       0.86289946 
           0.75004991       0.67787125       0.38147604 
           0.00699184       0.69591724       0.89067747 
           0.72857141       0.65489339       0.67708789 
   
  
  
           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 
          36 
          37 
          38 
          39 
          40 
          41 
          42 
          43 
          44 
          45 
          46 
          47 
          48 
          49 
          50 
          51 
          52 
          53 
          54 
          55 
          56 
          57 
          58 
          59 
          60 
          61 
          62 
          63 
          64 
          65 
          66 
  
 
 
  
          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
       644.87300000
         0.00001000
       38
       10
      162
       -1
       -1
       256.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         1
     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
     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
           0.00000002
           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      0.77000000      0.32000000      0.99000000
      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
  
  
        1
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000     12.01100000      1.00000000     35.45300000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      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
        19.12059192
         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  
  
 
 
        66 
         5 
  
   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
    C    3
    C    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
    Cl   5
    Cl   5
    Cl   5
    Cl   5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      40Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       8O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      12H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       4Cl     35.45300000      7.00000000  PAW_PBE Cl 06Sep2000                  
   
  
 
 
  
   
           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 
   
  
  
          0.01061992       0.46036831       0.07109893 
          0.00807569       0.53794171       0.44304337 
          0.24781340       0.46322505       0.20345098 
          0.25288805       0.54333112       0.31689272 
          0.99755100       0.23527265       0.43605904 
          0.24755100       0.23527265       0.32107364 
          0.99755100       0.30819001       0.06667618 
          0.24755100       0.30819001       0.19045650 
          0.99755100       0.38469414       0.44028863 
          0.24755100       0.38469414       0.31684405 
          0.00847668       0.46082288       0.56241966 
          0.00384394       0.53931910       0.95073030 
          0.25289306       0.46600111       0.69589980 
          0.24106496       0.54614406       0.82084345 
          0.24755100       0.23527265       0.82107364 
          0.99755100       0.30819001       0.56667618 
          0.24755100       0.30819001       0.69045650 
          0.99755100       0.38469414       0.94028863 
          0.24755100       0.38469414       0.81684405 
          0.48359456       0.46212674       0.06881631 
          0.50636590       0.54267248       0.43536295 
          0.74687024       0.46055887       0.19336897 
          0.75897612       0.53663221       0.31550771 
          0.49755100       0.23527265       0.43605904 
          0.74755100       0.23527265       0.32107364 
          0.49755100       0.30819001       0.06667618 
          0.74755100       0.30819001       0.19045650 
          0.49755100       0.38469414       0.44028863 
          0.74755100       0.38469414       0.31684405 
          0.49388138       0.46436954       0.55778791 
          0.48652816       0.54374443       0.94914310 
          0.74850793       0.45963015       0.67258272 
          0.74551080       0.52264190       0.83838964 
          0.49755100       0.23527265       0.93605904 
          0.74755100       0.23527265       0.82107364 
          0.74755100       0.30819001       0.69045650 
          0.49755100       0.38469414       0.94028863 
          0.74755100       0.38469414       0.81684405 
          0.20108394       0.67064038       0.77601692 
          0.59511455       0.66029889       0.52520487 
          0.20940229       0.60620368       0.75150715 
          0.51208094       0.60336748       0.50007158 
          0.99138943       0.58850399       0.54062447 
          0.23802659       0.59956110       0.23953814 
          0.01116846       0.59338091       0.03490591 
          0.75577992       0.58882060       0.21268532 
          0.48323507       0.59501327       0.04704224 
          0.73047626       0.46114748       0.90925343 
          0.16483973       0.70392631       0.62736987 
          0.51540413       0.74737524       0.52523719 
          0.22057542       0.72192969       0.53682610 
          0.02703988       0.70039375       0.60976183 
          0.60570693       0.77976826       0.51396579 
          0.19652026       0.74561953       0.63541830 
          0.45195550       0.74546017       0.44112550 
          0.45876640       0.75023707       0.61094376 
          0.07516058       0.59164811       0.60894246 
          0.30402530       0.60280348       0.16168360 
          0.92924983       0.59545951       0.10497300 
          0.75880566       0.62298228       0.25707865 
          0.58463833       0.59556303       0.10448546 
          0.75906695       0.46149976       0.99938116 
          0.42170243       0.69632619       0.86289946 
          0.75004991       0.67787125       0.38147604 
          0.00699184       0.69591724       0.89067747 
          0.72857141       0.65489339       0.67708789 
  
  
     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 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      10.17   10.26
      10.60   10.69
   
         86.77061607 
      27707.15881645 
     -36380.85202893 
        -17.33576072 
       7841.10245098 
      -7153.46082637 
          0.01464327 
       -307.30270649 
       9663.60131947 
       1439.69652371 
       1439.68188045 
       1439.69164262 
   
  
  
      20.13   20.13
      20.13   20.14
   
       -108.71453678 
       -108.69027698 
       -108.70645018 
   
  
  
      18.71   18.70
      18.71   18.71
   
       -347.69657502 
       -347.69043987 
       -347.69452997 
   
  
  
      19.58   19.58
      19.58   19.58
   
       -358.99605369 
       -358.98482784 
       -358.99231174 
   
  
  
      19.64   19.64
      19.79   19.79
   
       -359.39076682 
       -359.37932202 
       -359.38695189 
   
  
  
      19.63   19.63
      20.15   20.15
   
       -336.76144623 
       -336.75012153 
       -336.75767133 
   
  
  
      17.48   17.48
      18.02   18.02
   
       -336.92785473 
       -336.92921995 
       -336.92830980 
   
  
  
      18.21   18.21
      18.78   18.78
   
       -336.40238778 
       -336.37457593 
       -336.39311716 
   
  
  
      17.98   17.98
      18.60   18.59
   
       -336.10314386 
       -336.08514361 
       -336.09714378 
   
  
  
      17.58   17.58
      18.18   18.18
   
       -335.96843333 
       -335.92443683 
       -335.95376783 
   
  
  
      17.97   17.97
      18.52   18.52
   
       -335.98475486 
       -335.95415725 
       -335.97455566 
   
  
  
      18.03   18.03
      18.60   18.60
   
       -335.97219590 
       -335.93026344 
       -335.95821841 
   
  
  
      17.88   17.88
      18.49   18.48
   
       -335.96627917 
       -335.92572364 
       -335.95276066 
   
  
  
      18.10   18.10
      18.68   18.68
   
       -335.96637456 
       -335.92503359 
       -335.95259423 
   
  
  
      19.45   19.45
      20.06   20.06
   
       -335.96631907 
       -335.92510935 
       -335.95258250 
   
  
  
      18.35   18.35
      18.92   18.92
   
       -335.96636739 
       -335.92500729 
       -335.95258069 
   
  
  
      18.28   18.28
      18.87   18.87
   
       -335.96657532 
       -335.92529984 
       -335.95281683 
   
  
  
      17.99   17.99
      18.62   18.62
   
       -335.96701611 
       -335.92564092 
       -335.95322438 
   
  
  
      18.81   18.81
      19.43   19.43
   
       -335.96745321 
       -335.92612368 
       -335.95367670 
   
  
  
      17.62   17.61
      18.19   18.19
   
       -335.96807764 
       -335.92670404 
       -335.95428644 
   
  
  
      17.47   17.47
      18.05   18.05
   
       -335.96849680 
       -335.92714142 
       -335.95471167 
   
  
  
      17.35   17.35
      17.92   17.92
   
       -335.96868793 
       -335.92732250 
       -335.95489945 
   
  
  
      13.09   13.09
      13.67   13.67
   
       -335.96878740 
       -335.92742895 
       -335.95500125 
   
  
  
      15.17   15.17
      15.74   15.74
   
       -335.96905388 
       -335.92770384 
       -335.95527053