vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 11 
  23:51:26 
 
 
  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 
    
   
   
           0.00773148       0.45886883       0.07488793 
           0.00126040       0.53556798       0.44901439 
           0.24376781       0.46041633       0.20880124 
           0.24659700       0.54031747       0.32283391 
           0.99387749       0.23251285       0.44140856 
           0.24387749       0.23251285       0.32642316 
           0.99387749       0.30543021       0.07202570 
           0.24387749       0.30543021       0.19580602 
           0.99387749       0.38193434       0.44563815 
           0.24387749       0.38193434       0.32219357 
           0.00347729       0.45819097       0.56773103 
           0.99909167       0.53851991       0.95359313 
           0.24844913       0.46250667       0.70069243 
           0.23875076       0.54235891       0.82446934 
           0.24387749       0.23251285       0.82642316 
           0.99387749       0.30543021       0.57202570 
           0.24387749       0.30543021       0.69580602 
           0.99387749       0.38193434       0.94563815 
           0.24387749       0.38193434       0.82219357 
           0.48054291       0.45901204       0.07509177 
           0.50118263       0.53972663       0.44094206 
           0.74483962       0.45814589       0.19862780 
           0.75378922       0.53435983       0.32063939 
           0.49387749       0.23251285       0.44140856 
           0.74387749       0.23251285       0.32642316 
           0.49387749       0.30543021       0.07202570 
           0.74387749       0.30543021       0.19580602 
           0.49387749       0.38193434       0.44563815 
           0.74387749       0.38193434       0.32219357 
           0.48924132       0.46135815       0.56249770 
           0.48204438       0.54013243       0.95495366 
           0.74340524       0.45678701       0.67765693 
           0.74088066       0.51991703       0.84327604 
           0.49387749       0.23251285       0.94140856 
           0.74387749       0.23251285       0.82642316 
           0.74387749       0.30543021       0.69580602 
           0.49387749       0.38193434       0.94563815 
           0.74387749       0.38193434       0.82219357 
           0.22638454       0.66531518       0.76466642 
           0.55228964       0.65867507       0.52203913 
           0.21754562       0.60064851       0.74749272 
           0.51137261       0.59828891       0.51182862 
           0.98258303       0.58663601       0.54543227 
           0.22731200       0.59555803       0.24216358 
           0.00393586       0.59393179       0.03322458 
           0.75342740       0.58698184       0.21902640 
           0.47843574       0.59101634       0.05411233 
           0.73122837       0.45846734       0.91409219 
           0.22488187       0.69457537       0.61296634 
           0.50782265       0.78450441       0.51174926 
           0.28479628       0.76945816       0.50682861 
           0.09554937       0.68780894       0.57610389 
           0.58851700       0.81753177       0.49327245 
           0.24362295       0.73728769       0.61658688 
           0.50204591       0.76600333       0.42654260 
           0.49133236       0.77807901       0.59929320 
           0.06744163       0.58930801       0.61330839 
           0.29904644       0.59928564       0.16699678 
           0.92921868       0.59573996       0.10695238 
           0.74362964       0.62109200       0.26195338 
           0.58113492       0.59186948       0.11023438 
           0.75347697       0.45909192       0.00508119 
           0.44016173       0.68751279       0.86335084 
           0.64946209       0.67937185       0.36002807 
           0.02239592       0.69524657       0.86167193 
           0.72799098       0.67030247       0.64327241 
   
  
  
           1 
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           5 
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           7 
           8 
           9 
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          46 
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          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 
   
  
  
          0.00773148       0.45886883       0.07488793 
          0.00126040       0.53556798       0.44901439 
          0.24376781       0.46041633       0.20880124 
          0.24659700       0.54031747       0.32283391 
          0.99387749       0.23251285       0.44140856 
          0.24387749       0.23251285       0.32642316 
          0.99387749       0.30543021       0.07202570 
          0.24387749       0.30543021       0.19580602 
          0.99387749       0.38193434       0.44563815 
          0.24387749       0.38193434       0.32219357 
          0.00347729       0.45819097       0.56773103 
          0.99909167       0.53851991       0.95359313 
          0.24844913       0.46250667       0.70069243 
          0.23875076       0.54235891       0.82446934 
          0.24387749       0.23251285       0.82642316 
          0.99387749       0.30543021       0.57202570 
          0.24387749       0.30543021       0.69580602 
          0.99387749       0.38193434       0.94563815 
          0.24387749       0.38193434       0.82219357 
          0.48054291       0.45901204       0.07509177 
          0.50118263       0.53972663       0.44094206 
          0.74483962       0.45814589       0.19862780 
          0.75378922       0.53435983       0.32063939 
          0.49387749       0.23251285       0.44140856 
          0.74387749       0.23251285       0.32642316 
          0.49387749       0.30543021       0.07202570 
          0.74387749       0.30543021       0.19580602 
          0.49387749       0.38193434       0.44563815 
          0.74387749       0.38193434       0.32219357 
          0.48924132       0.46135815       0.56249770 
          0.48204438       0.54013243       0.95495366 
          0.74340524       0.45678701       0.67765693 
          0.74088066       0.51991703       0.84327604 
          0.49387749       0.23251285       0.94140856 
          0.74387749       0.23251285       0.82642316 
          0.74387749       0.30543021       0.69580602 
          0.49387749       0.38193434       0.94563815 
          0.74387749       0.38193434       0.82219357 
          0.22638454       0.66531518       0.76466642 
          0.55228964       0.65867507       0.52203913 
          0.21754562       0.60064851       0.74749272 
          0.51137261       0.59828891       0.51182862 
          0.98258303       0.58663601       0.54543227 
          0.22731200       0.59555803       0.24216358 
          0.00393586       0.59393179       0.03322458 
          0.75342740       0.58698184       0.21902640 
          0.47843574       0.59101634       0.05411233 
          0.73122837       0.45846734       0.91409219 
          0.22488187       0.69457537       0.61296634 
          0.50782265       0.78450441       0.51174926 
          0.28479628       0.76945816       0.50682861 
          0.09554937       0.68780894       0.57610389 
          0.58851700       0.81753177       0.49327245 
          0.24362295       0.73728769       0.61658688 
          0.50204591       0.76600333       0.42654260 
          0.49133236       0.77807901       0.59929320 
          0.06744163       0.58930801       0.61330839 
          0.29904644       0.59928564       0.16699678 
          0.92921868       0.59573996       0.10695238 
          0.74362964       0.62109200       0.26195338 
          0.58113492       0.59186948       0.11023438 
          0.75347697       0.45909192       0.00508119 
          0.44016173       0.68751279       0.86335084 
          0.64946209       0.67937185       0.36002807 
          0.02239592       0.69524657       0.86167193 
          0.72799098       0.67030247       0.64327241 
  
  
     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 
  
 
 
  
      16.25   16.39
      16.65   16.80
   
         86.77061607 
      26743.85544493 
     -35418.59117725 
        -17.95423598 
       7841.10245098 
      -7153.46082637 
         -0.01456162 
       -312.25989877 
       9663.60131947 
       1433.04913146 
       1433.06369308 
       1433.05398534 
   
  
  
      19.89   19.89
      19.89   19.89
   
       -107.54668527 
       -107.51993756 
       -107.53776936 
   
  
  
      18.82   18.82
      18.82   18.82
   
       -344.43792174 
       -344.42902601 
       -344.43495650 
   
  
  
      19.26   19.26
      19.26   19.26
   
       -355.89302514 
       -355.88313240 
       -355.88972756 
   
  
  
      19.28   19.28
      19.42   19.42
   
       -356.28436433 
       -356.27432186 
       -356.28101684 
   
  
  
      19.68   19.67
      20.22   20.22
   
       -333.57347518 
       -333.56073262 
       -333.56922766 
   
  
  
      17.30   17.29
      17.86   17.85
   
       -333.72325762 
       -333.72412518 
       -333.72354680 
   
  
  
      18.29   18.29
      18.83   18.82
   
       -333.10699370 
       -333.07717772 
       -333.09705504 
   
  
  
      17.89   17.89
      18.45   18.45
   
       -332.90056269 
       -332.89061331 
       -332.89724623 
   
  
  
      17.61   17.61
      18.16   18.16
   
       -332.74775137 
       -332.70333692 
       -332.73294655 
   
  
  
      18.11   18.11
      18.67   18.67
   
       -332.76706553 
       -332.73916601 
       -332.75776569 
   
  
  
      17.83   17.83
      18.39   18.39
   
       -332.75256219 
       -332.71083867 
       -332.73865435 
   
  
  
      18.51   18.51
      19.09   19.09
   
       -332.74452422 
       -332.70392233 
       -332.73099026 
   
  
  
      18.07   18.07
      18.63   18.63
   
       -332.74535725 
       -332.70445620 
       -332.73172357 
   
  
  
      19.82   19.81
      20.37   20.37
   
       -332.74568648 
       -332.70484942 
       -332.73207412 
   
  
  
      17.97   17.97
      18.53   18.53
   
       -332.74611173 
       -332.70504021 
       -332.73242123 
   
  
  
      19.56   19.56
      20.13   20.13
   
       -332.74653360 
       -332.70552895 
       -332.73286538 
   
  
  
      18.38   18.37
      18.99   18.99
   
       -332.74694661 
       -332.70585288 
       -332.73324870 
   
  
  
      18.78   18.77
      19.34   19.34
   
       -332.74727156 
       -332.70622624 
       -332.73358979 
   
  
  
      17.17   17.17
      17.77   17.77
   
       -332.74793118 
       -332.70691656 
       -332.73425964 
   
  
  
      17.69   17.69
      18.25   18.25
   
       -332.74832738 
       -332.70727579 
       -332.73464352 
   
  
  
      16.71   16.71
      17.31   17.31
   
       -332.74854320 
       -332.70749581 
       -332.73486074 
   
  
  
      13.85   13.85
      14.41   14.41
   
       -332.74868742 
       -332.70763579 
       -332.73500354 
   
  
  
      13.25   13.25
      13.82   13.82
   
       -332.74881231 
       -332.70776427 
       -332.73512963