vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 13 
  17:53:50 
 
 
  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      0.75000000
       -0.00300000      0.00000000     -0.00100000      0.00100000      0.00000000      0.01700000      0.06100000      0.01500000     -0.00100000      0.00600000      0.00100000      0.00100000      0.00100000      0.00000000     -0.00300000      0.00000000      0.01800000      0.01000000      0.00400000      0.00000000
     -0.00400000     -0.00100000      0.00100000      0.17200000      0.01700000      0.00000000      0.01700000     -0.04100000      0.00600000      0.00000000      0.00000000      0.00100000      0.00000000     -0.00100000     -0.00800000      0.02300000      0.00100000      0.00400000      0.00000000      0.00000000
      0.00000000     -0.00100000      0.00000000      0.00000000      0.00100000      0.00000000      0.00000000      0.00200000      0.00100000      0.00600000     -0.00100000      0.01400000      0.00100000     -0.00200000      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10600000      0.00400000
  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 
    
   
   
           0.00747655       0.43027460       0.09331970 
           0.82678733       0.75768680       0.45449380 
           0.23866975       0.55893651       0.17376857 
           0.82316760       0.79063253       0.39805300 
           0.00725765       0.23906935       0.43113411 
           0.25725765       0.23906935       0.31614871 
           0.00725765       0.31198671       0.06175125 
           0.25725765       0.31198671       0.18553157 
           0.00725765       0.38849084       0.43536370 
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           0.87844054       0.56791968       0.55066122 
           0.88058109       0.61315053       0.08730687 
           0.05255553       0.40797012       0.74660375 
           0.09559136       0.50371393       0.83842466 
           0.25725765       0.23906935       0.81614871 
           0.00725765       0.31198671       0.56175125 
           0.25725765       0.31198671       0.68553157 
           0.00725765       0.38849084       0.93536370 
           0.25725765       0.38849084       0.81191912 
           0.52359262       0.46085609       0.05948374 
           0.03845812       0.02184787       0.78863030 
           0.75161250       0.45713803       0.19853897 
           0.63373031       0.59091150       0.54111234 
           0.50725765       0.23906935       0.43113411 
           0.75725765       0.23906935       0.31614871 
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           0.50725765       0.38849084       0.43536370 
           0.75725765       0.38849084       0.31191912 
           0.39975450       0.45453570       0.74954114 
           0.32068334       0.51639201       0.92842013 
           0.70976769       0.43324950       0.76023161 
           0.67816766       0.55053191       0.88792602 
           0.50725765       0.23906935       0.93113411 
           0.75725765       0.23906935       0.81614871 
           0.75725765       0.31198671       0.68553157 
           0.50725765       0.38849084       0.93536370 
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           0.32064377       0.51569904       0.62520758 
           0.40757174       0.61000500       0.67286841 
           0.50310321       0.50166209       0.76758417 
           0.77608142       0.55592815       0.39104754 
           0.81879798       0.85967319       0.44562533 
           0.84696511       0.74657067       0.51848200 
           0.84992381       0.56279660       0.02994874 
           0.42063174       0.55600987       0.16267616 
           0.96779319       0.55260847       0.13419701 
           0.67049286       0.51965679       0.08970327 
           0.94981114       0.18488087       0.56784703 
           0.23198074       0.16430321       0.28047006 
           0.16420200       0.15740732       0.96154480 
           0.51167631       0.16840425       0.25657400 
           0.57275501       0.20210872       0.07688998 
           0.63490070       0.16245763       0.81904753 
           0.06451916       0.72177484       0.75436003 
           0.47903826       0.82021881       0.00640986 
           0.79352615       0.71046543       0.65736222 
           0.63330526       0.83139387       0.38868482 
           0.30755523       0.61457943       0.52858340 
           0.27035808       0.63689203       0.96579339 
           0.35014896       0.76261457       0.71585169 
           0.05400888       0.55546592       0.14461502 
           0.49601440       0.46405581       0.01023143 
           0.18680152       0.54760931       0.14325576 
           0.58557418       0.38617663       0.92878334 
           0.49823278       0.60995219       0.17183484 
           0.83792671       0.45404527       0.26455466 
           0.83706031       0.16492104       0.44514555 
           0.14593924       0.11654111       0.32852931 
           0.03553077       0.19725577       0.87196494 
           0.38998157       0.18820410       0.20457894 
           0.35958312       0.16936935       0.03513658 
           0.72923640       0.16509416       0.75676239 
           0.95181539       0.45365114       0.21573649 
           0.39758986       0.62531457       0.10593560 
   
  
  
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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
       627.11200000
         0.00001000
       38
       10
      189
       -1
       -1
       299.00000000
        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
   
   
         2
     F  
         -0.00300000      0.00000000     -0.00100000      0.00100000      0.00000000      0.01700000      0.06100000      0.01500000     -0.00100000      0.00600000      0.00100000      0.00100000      0.00100000      0.00000000     -0.00300000      0.00000000      0.01800000      0.01000000      0.00400000      0.00000000
     -0.00400000     -0.00100000      0.00100000      0.17200000      0.01700000      0.00000000      0.01700000     -0.04100000      0.00600000      0.00000000      0.00000000      0.00100000      0.00000000     -0.00100000     -0.00800000      0.02300000      0.00100000      0.00400000      0.00000000      0.00000000
      0.00000000     -0.00100000      0.00000000      0.00000000      0.00100000      0.00000000      0.00000000      0.00200000      0.00100000      0.00600000     -0.00100000      0.01400000      0.00100000     -0.00200000      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10600000      0.00400000
         -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      0.75000000
      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     14.00100000
         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
        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 
         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
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    Cl   3
    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
    N    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      40Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      14O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       5Cl     35.45300000      7.00000000  PAW_PBE Cl 06Sep2000                  
      15H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
   
  
 
 
  
   
           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 
   
  
  
          0.00747655       0.43027460       0.09331970 
          0.82678733       0.75768680       0.45449380 
          0.23866975       0.55893651       0.17376857 
          0.82316760       0.79063253       0.39805300 
          0.00725765       0.23906935       0.43113411 
          0.25725765       0.23906935       0.31614871 
          0.00725765       0.31198671       0.06175125 
          0.25725765       0.31198671       0.18553157 
          0.00725765       0.38849084       0.43536370 
          0.25725765       0.38849084       0.31191912 
          0.87844054       0.56791968       0.55066122 
          0.88058109       0.61315053       0.08730687 
          0.05255553       0.40797012       0.74660375 
          0.09559136       0.50371393       0.83842466 
          0.25725765       0.23906935       0.81614871 
          0.00725765       0.31198671       0.56175125 
          0.25725765       0.31198671       0.68553157 
          0.00725765       0.38849084       0.93536370 
          0.25725765       0.38849084       0.81191912 
          0.52359262       0.46085609       0.05948374 
          0.03845812       0.02184787       0.78863030 
          0.75161250       0.45713803       0.19853897 
          0.63373031       0.59091150       0.54111234 
          0.50725765       0.23906935       0.43113411 
          0.75725765       0.23906935       0.31614871 
          0.50725765       0.31198671       0.06175125 
          0.75725765       0.31198671       0.18553157 
          0.50725765       0.38849084       0.43536370 
          0.75725765       0.38849084       0.31191912 
          0.39975450       0.45453570       0.74954114 
          0.32068334       0.51639201       0.92842013 
          0.70976769       0.43324950       0.76023161 
          0.67816766       0.55053191       0.88792602 
          0.50725765       0.23906935       0.93113411 
          0.75725765       0.23906935       0.81614871 
          0.75725765       0.31198671       0.68553157 
          0.50725765       0.38849084       0.93536370 
          0.75725765       0.38849084       0.81191912 
          0.32064377       0.51569904       0.62520758 
          0.40757174       0.61000500       0.67286841 
          0.50310321       0.50166209       0.76758417 
          0.77608142       0.55592815       0.39104754 
          0.81879798       0.85967319       0.44562533 
          0.84696511       0.74657067       0.51848200 
          0.84992381       0.56279660       0.02994874 
          0.42063174       0.55600987       0.16267616 
          0.96779319       0.55260847       0.13419701 
          0.67049286       0.51965679       0.08970327 
          0.94981114       0.18488087       0.56784703 
          0.23198074       0.16430321       0.28047006 
          0.16420200       0.15740732       0.96154480 
          0.51167631       0.16840425       0.25657400 
          0.57275501       0.20210872       0.07688998 
          0.63490070       0.16245763       0.81904753 
          0.06451916       0.72177484       0.75436003 
          0.47903826       0.82021881       0.00640986 
          0.79352615       0.71046543       0.65736222 
          0.63330526       0.83139387       0.38868482 
          0.30755523       0.61457943       0.52858340 
          0.27035808       0.63689203       0.96579339 
          0.35014896       0.76261457       0.71585169 
          0.05400888       0.55546592       0.14461502 
          0.49601440       0.46405581       0.01023143 
          0.18680152       0.54760931       0.14325576 
          0.58557418       0.38617663       0.92878334 
          0.49823278       0.60995219       0.17183484 
          0.83792671       0.45404527       0.26455466 
          0.83706031       0.16492104       0.44514555 
          0.14593924       0.11654111       0.32852931 
          0.03553077       0.19725577       0.87196494 
          0.38998157       0.18820410       0.20457894 
          0.35958312       0.16936935       0.03513658 
          0.72923640       0.16509416       0.75676239 
          0.95181539       0.45365114       0.21573649 
          0.39758986       0.62531457       0.10593560 
  
  
     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 
  
 
 
  
      24.98   25.01
      28.10   28.12
   
        123.65170997 
      13503.90266018 
     -24601.92132579 
        167.38650456 
      10239.95902789 
      -9563.30171726 
          0.00542242 
       -399.91308828 
      12674.55391393 
       2144.32310762 
       2144.31768520 
       2144.32130015 
   
  
  
      32.22   32.23
      32.22   32.23
   
        243.67913286 
        243.68207952 
        243.68011508 
   
  
  
      32.55   32.57
      32.56   32.57
   
        -85.43184033 
        -85.44815745 
        -85.43727937 
   
  
  
      33.01   33.03
      33.02   33.03
   
       -104.26640527 
       -104.27729869 
       -104.27003641 
   
  
  
      32.72   32.75
      33.01   33.03
   
       -104.86474941 
       -104.87698873 
       -104.86882918 
   
  
  
      29.19   29.25
      30.72   30.79
   
        -38.48991468 
        -38.54713247 
        -38.50898727 
   
  
  
      34.54   34.59
      36.01   36.06
   
       -102.71638565 
       -102.71466600 
       -102.71581244 
   
  
  
      32.08   32.13
      33.51   33.56
   
        -66.08702012 
        -66.11291640 
        -66.09565221 
   
  
  
      32.30   32.36
      33.84   33.90
   
        -37.16892244 
        -37.17787645 
        -37.17190711 
   
  
  
      28.11   28.16
      29.64   29.70
   
        -24.88123915 
        -24.88896833 
        -24.88381554 
   
  
  
      31.70   31.75
      33.23   33.29
   
        -28.31373256 
        -28.31460304 
        -28.31402272 
   
  
  
      35.00   35.06
      36.63   36.69
   
        -23.91005611 
        -23.93307473 
        -23.91772898 
   
  
  
      31.83   31.87
      33.25   33.30
   
        -18.09285760 
        -17.99477336 
        -18.06016285 
   
  
  
      32.84   32.91
      34.53   34.60
   
        -17.50845990 
        -17.45170902 
        -17.48954294 
   
  
  
      30.79   30.84
      32.44   32.48
   
        -16.08566795 
        -16.16881348 
        -16.11338313 
   
  
  
      28.73   28.76
      30.32   30.36
   
        -15.24150310 
        -14.95346719 
        -15.14549113 
   
  
  
      29.69   29.74
      31.44   31.49
   
        -15.88279749 
        -15.87071741 
        -15.87877080 
   
  
  
      33.83   33.89
      35.31   35.37
   
        -15.24643669 
        -15.26167202 
        -15.25151514 
   
  
  
      33.25   33.30
      34.81   34.87
   
        -15.25164069 
        -15.21092690 
        -15.23806943 
   
  
  
      31.51   31.56
      33.14   33.19
   
        -15.31609395 
        -15.30878588 
        -15.31365793 
   
  
  
      27.44   27.48
      29.08   29.13
   
        -15.16248533 
        -15.21437768 
        -15.17978278 
   
  
  
      28.23   28.30
      29.80   29.87
   
        -15.22442082 
        -15.28091587 
        -15.24325251 
   
  
  
      29.80   29.84
      31.40   31.44
   
        -15.17872266 
        -15.22606622 
        -15.19450385 
   
  
  
      28.23   28.27
      29.82   29.86
   
        -15.23229514 
        -15.25854923 
        -15.24104650 
   
  
  
      30.05   30.12
      31.61   31.68
   
        -15.39284725 
        -15.43553814 
        -15.40707755 
   
  
  
      27.96   28.02
      29.55   29.62
   
        -15.39294221 
        -15.43561331 
        -15.40716591 
   
  
  
      33.45   33.50
      35.01   35.07
   
        -15.39236478 
        -15.43278420 
        -15.40583792 
   
  
  
      27.92   27.99
      29.52   29.59
   
        -15.40205991 
        -15.45092771 
        -15.41834918 
   
  
  
      27.29   27.32
      28.95   28.98
   
        -15.40983091 
        -15.46328990 
        -15.42765057 
   
  
  
      27.99   28.04
      29.53   29.57
   
        -15.39690817 
        -15.44638805 
        -15.41340147 
   
  
  
      28.91   28.96
      30.81   30.87
   
        -15.39129581 
        -15.44190721 
        -15.40816628 
   
  
  
      27.63   27.71
      29.96   30.03
   
        -15.36231598 
        -15.40380856 
        -15.37614684 
   
  
  
      28.71   28.76
      30.72   30.77
   
        -15.34053929 
        -15.36958651 
        -15.35022170 
   
  
  
      28.38   28.46
      30.15   30.24
   
        -15.33335566 
        -15.36396071 
        -15.34355734 
   
  
  
      27.15   27.21
      29.36   29.42
   
        -15.33397637 
        -15.36344839 
        -15.34380038 
   
  
  
      29.29   29.36
      31.54   31.61
   
        -15.34621457 
        -15.38113639 
        -15.35785517 
   
  
  
      28.17   28.22
      29.89   29.94
   
        -15.34629799 
        -15.38220138 
        -15.35826579 
   
  
  
      29.03   29.07
      31.16   31.20
   
        -15.36676196 
        -15.39844114 
        -15.37732169 
   
  
  
      27.13   27.16
      28.93   28.97
   
        -15.40955961 
        -15.41623974 
        -15.41178632 
   
  
  
      26.95   27.01
      28.88   28.94
   
        -15.37306770 
        -15.39255670 
        -15.37956404 
   
  
  
      28.86   28.89
      30.88   30.92
   
        -15.34376026 
        -15.35055323 
        -15.34602459 
   
  
  
      27.15   27.23
      28.89   28.97
   
        -15.38552724 
        -15.39490522 
        -15.38865324 
   
  
  
      27.18   27.23
      28.86   28.90
   
        -15.34801690 
        -15.34620682 
        -15.34741354 
   
  
  
      27.28   27.33
      29.08   29.13
   
        -15.33491386 
        -15.33462231 
        -15.33481667