vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 18 
  19:47:33 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       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 
    
   
   
           0.02214174       0.46197277       0.07486646 
           0.01225893       0.54363745       0.43196211 
           0.27447537       0.46443823       0.19406690 
           0.26631682       0.54317875       0.31156002 
           0.00453603       0.23833553       0.43164358 
           0.25453603       0.23833553       0.31665818 
           0.00453603       0.31125289       0.06226072 
           0.25453603       0.31125289       0.18604104 
           0.00453603       0.38775702       0.43587317 
           0.25453603       0.38775702       0.31242859 
           0.01362148       0.46585703       0.55466417 
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           0.25809078       0.46949061       0.68996418 
           0.24226119       0.55212615       0.81300512 
           0.25453603       0.23833553       0.81665818 
           0.00453603       0.31125289       0.56226072 
           0.25453603       0.31125289       0.68604104 
           0.00453603       0.38775702       0.93587317 
           0.25453603       0.38775702       0.81242859 
           0.51256797       0.46801513       0.05289252 
           0.51917410       0.54465735       0.43449507 
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           0.76477277       0.54064043       0.30591593 
           0.50453603       0.23833553       0.43164358 
           0.75453603       0.23833553       0.31665818 
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           0.50453603       0.38775702       0.43587317 
           0.75453603       0.38775702       0.31242859 
           0.50743986       0.46635694       0.55935288 
           0.49089575       0.55394158       0.93925483 
           0.76324471       0.46511146       0.67850930 
           0.75720217       0.53043649       0.84125634 
           0.50453603       0.23833553       0.93164358 
           0.75453603       0.23833553       0.81665818 
           0.75453603       0.31125289       0.68604104 
           0.50453603       0.38775702       0.93587317 
           0.75453603       0.38775702       0.81242859 
           0.10395947       0.66870843       0.78833333 
           0.50962969       0.66358191       0.48331812 
           0.18236231       0.61118741       0.74201745 
           0.53627000       0.60059338       0.51845838 
           0.99058575       0.59605857       0.52414620 
           0.27718875       0.59520228       0.21218612 
           0.03093223       0.59256196       0.05225479 
           0.77289061       0.59089700       0.20250297 
           0.51426979       0.60479387       0.03728819 
           0.71141796       0.47502737       0.93149270 
           0.98922331       0.18468362       0.52893166 
           0.25016208       0.18447669       0.21975209 
           0.18524395       0.17838104       0.78916126 
           0.78262631       0.18364279       0.22884779 
           0.51531657       0.18586127       0.02910146 
           0.82301486       0.18210629       0.75226423 
           0.25734525       0.70081094       0.92128329 
           0.70254878       0.68964741       0.36717856 
           0.85420335       0.66230113       0.85271842 
           0.53092435       0.70475962       0.64447483 
           0.08147865       0.72006733       0.64490908 
           0.07400409       0.59978022       0.59248160 
           0.17598000       0.59620686       0.15088818 
           0.92601580       0.59541757       0.11017109 
           0.67126586       0.59714434       0.14600044 
           0.42052541       0.60601243       0.10288770 
           0.81595307       0.45249542       0.94933431 
           0.20257650       0.67444273       0.46255794 
           0.29539827       0.66239242       0.32510508 
           0.00058183       0.15020434       0.48998015 
           0.13253000       0.17428583       0.19384242 
           0.05908653       0.17329738       0.77345856 
           0.70009189       0.17951674       0.15938550 
           0.41495426       0.18192996       0.08610980 
           0.86019335       0.18399006       0.66373322 
           0.27711906       0.76795200       0.34051063 
           0.31653602       0.67627098       0.41272096 
   
  
  
           1 
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          31 
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          49 
          50 
          51 
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          53 
          54 
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          61 
          62 
          63 
          64 
          65 
          66 
          67 
          68 
          69 
          70 
          71 
          72 
          73 
          74 
          75 
  
 
 
  
          2        1        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       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 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.50000000       0.00000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   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  
   
   
       200
        -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
      200
        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 
   
  
  
          0.02214174       0.46197277       0.07486646 
          0.01225893       0.54363745       0.43196211 
          0.27447537       0.46443823       0.19406690 
          0.26631682       0.54317875       0.31156002 
          0.00453603       0.23833553       0.43164358 
          0.25453603       0.23833553       0.31665818 
          0.00453603       0.31125289       0.06226072 
          0.25453603       0.31125289       0.18604104 
          0.00453603       0.38775702       0.43587317 
          0.25453603       0.38775702       0.31242859 
          0.01362148       0.46585703       0.55466417 
          0.01957389       0.54080246       0.95476544 
          0.25809078       0.46949061       0.68996418 
          0.24226119       0.55212615       0.81300512 
          0.25453603       0.23833553       0.81665818 
          0.00453603       0.31125289       0.56226072 
          0.25453603       0.31125289       0.68604104 
          0.00453603       0.38775702       0.93587317 
          0.25453603       0.38775702       0.81242859 
          0.51256797       0.46801513       0.05289252 
          0.51917410       0.54465735       0.43449507 
          0.75644601       0.46324253       0.19057488 
          0.76477277       0.54064043       0.30591593 
          0.50453603       0.23833553       0.43164358 
          0.75453603       0.23833553       0.31665818 
          0.50453603       0.31125289       0.06226072 
          0.75453603       0.31125289       0.18604104 
          0.50453603       0.38775702       0.43587317 
          0.75453603       0.38775702       0.31242859 
          0.50743986       0.46635694       0.55935288 
          0.49089575       0.55394158       0.93925483 
          0.76324471       0.46511146       0.67850930 
          0.75720217       0.53043649       0.84125634 
          0.50453603       0.23833553       0.93164358 
          0.75453603       0.23833553       0.81665818 
          0.75453603       0.31125289       0.68604104 
          0.50453603       0.38775702       0.93587317 
          0.75453603       0.38775702       0.81242859 
          0.10395947       0.66870843       0.78833333 
          0.50962969       0.66358191       0.48331812 
          0.18236231       0.61118741       0.74201745 
          0.53627000       0.60059338       0.51845838 
          0.99058575       0.59605857       0.52414620 
          0.27718875       0.59520228       0.21218612 
          0.03093223       0.59256196       0.05225479 
          0.77289061       0.59089700       0.20250297 
          0.51426979       0.60479387       0.03728819 
          0.71141796       0.47502737       0.93149270 
          0.98922331       0.18468362       0.52893166 
          0.25016208       0.18447669       0.21975209 
          0.18524395       0.17838104       0.78916126 
          0.78262631       0.18364279       0.22884779 
          0.51531657       0.18586127       0.02910146 
          0.82301486       0.18210629       0.75226423 
          0.25734525       0.70081094       0.92128329 
          0.70254878       0.68964741       0.36717856 
          0.85420335       0.66230113       0.85271842 
          0.53092435       0.70475962       0.64447483 
          0.08147865       0.72006733       0.64490908 
          0.07400409       0.59978022       0.59248160 
          0.17598000       0.59620686       0.15088818 
          0.92601580       0.59541757       0.11017109 
          0.67126586       0.59714434       0.14600044 
          0.42052541       0.60601243       0.10288770 
          0.81595307       0.45249542       0.94933431 
          0.20257650       0.67444273       0.46255794 
          0.29539827       0.66239242       0.32510508 
          0.00058183       0.15020434       0.48998015 
          0.13253000       0.17428583       0.19384242 
          0.05908653       0.17329738       0.77345856 
          0.70009189       0.17951674       0.15938550 
          0.41495426       0.18192996       0.08610980 
          0.86019335       0.18399006       0.66373322 
          0.27711906       0.76795200       0.34051063 
          0.31653602       0.67627098       0.41272096 
  
  
     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 
  
 
 
  
      26.22   26.27
      29.16   29.21
   
        123.65170997 
      23680.07810695 
     -35161.29490758 
        173.18285077 
      10239.95902789 
      -9563.30171726 
          0.01309292 
       -367.04569502 
      12674.55391393 
       1799.79638257 
       1799.78328966 
       1799.79201827 
   
  
  
      31.05   31.07
      31.05   31.07
   
       -116.15264542 
       -116.12164825 
       -116.14231303 
   
  
  
      27.77   27.82
      27.78   27.82
   
       -406.31043559 
       -406.28582698 
       -406.30223272 
   
  
  
      29.11   29.18
      29.11   29.19
   
       -419.37833042 
       -419.35365696 
       -419.37010594 
   
  
  
      30.42   30.47
      30.71   30.75
   
       -419.86302980 
       -419.83824915 
       -419.85476958 
   
  
  
      29.15   29.20
      31.56   31.62
   
       -389.85040661 
       -389.84009070 
       -389.84696798 
   
  
  
      26.39   26.46
      28.84   28.91
   
       -393.14784918 
       -393.12910362 
       -393.14160066 
   
  
  
      29.55   29.58
      31.09   31.12
   
       -392.61690105 
       -392.59350100 
       -392.60910103 
   
  
  
      27.63   27.70
      29.10   29.17
   
       -392.94849962 
       -392.93274085 
       -392.94324670 
   
  
  
      27.41   27.45
      28.79   28.82
   
       -393.25655436 
       -393.23380775 
       -393.24897215 
   
  
  
      27.96   28.04
      29.39   29.47
   
       -393.33671374 
       -393.31994216 
       -393.33112321 
   
  
  
      28.11   28.18
      29.59   29.65
   
       -393.40287975 
       -393.38665745 
       -393.39747231 
   
  
  
      28.32   28.38
      29.78   29.84
   
       -393.44961897 
       -393.43514419 
       -393.44479404 
   
  
  
      29.41   29.48
      30.81   30.88
   
       -393.48343504 
       -393.47060308 
       -393.47915772 
   
  
  
      27.72   27.78
      29.19   29.26
   
       -393.50749339 
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       -393.50371154 
   
  
  
      26.80   26.85
      28.32   28.37
   
       -393.53729248 
       -393.52761342 
       -393.53406612 
   
  
  
      26.61   26.65
      28.04   28.08
   
       -393.57811648 
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      27.54   27.59
      29.10   29.16
   
       -393.60773323 
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      27.74   27.79
      29.61   29.67
   
       -393.62649337 
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      27.83   27.87
      29.55   29.60
   
       -393.63879257 
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      28.49   28.53
      30.03   30.07
   
       -393.64563873 
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      28.12   28.20
      30.06   30.14
   
       -393.64976804 
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      27.09   27.13
      28.76   28.80
   
       -393.65249015 
       -393.65036445 
       -393.65178159