vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 18 
  19:47:31 
 
 
  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 
    
   
   
           0.02027585       0.46153793       0.07466825 
           0.00828154       0.54308657       0.43328415 
           0.27161747       0.46400542       0.19460301 
           0.26260076       0.54275174       0.31236300 
           0.00272162       0.23784632       0.43198323 
           0.25272162       0.23784632       0.31699783 
           0.00272162       0.31076368       0.06260037 
           0.25272162       0.31076368       0.18638069 
           0.00272162       0.38726781       0.43621282 
           0.25272162       0.38726781       0.31276824 
           0.01206906       0.46516718       0.55477855 
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           0.25652484       0.46903030       0.69033537 
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           0.25272162       0.23784632       0.81699783 
           0.00272162       0.31076368       0.56260037 
           0.25272162       0.31076368       0.68638069 
           0.00272162       0.38726781       0.93621282 
           0.25272162       0.38726781       0.81276824 
           0.51049486       0.46751929       0.05325696 
           0.51627503       0.54449140       0.43383021 
           0.75466787       0.46279416       0.19094929 
           0.76228782       0.54034794       0.30562723 
           0.50272162       0.23784632       0.43198323 
           0.75272162       0.23784632       0.31699783 
           0.50272162       0.31076368       0.06260037 
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           0.50272162       0.38726781       0.43621282 
           0.75272162       0.38726781       0.31276824 
           0.50587841       0.46626058       0.55924703 
           0.48867663       0.55320990       0.93965538 
           0.76171511       0.46475152       0.67891620 
           0.75541875       0.52989065       0.84213527 
           0.50272162       0.23784632       0.93198323 
           0.75272162       0.23784632       0.81699783 
           0.75272162       0.31076368       0.68638069 
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           0.75272162       0.38726781       0.81276824 
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           0.18655668       0.61070458       0.74214479 
           0.53202350       0.60150392       0.51331953 
           0.98005927       0.59339248       0.52950616 
           0.27491632       0.59526135       0.21464050 
           0.02935786       0.59187000       0.05398945 
           0.76978029       0.59084249       0.20309411 
           0.51181030       0.60397368       0.03791787 
           0.70943522       0.47427836       0.93183944 
           0.98730350       0.18419741       0.52926193 
           0.24830181       0.18404535       0.21992559 
           0.18291890       0.17793567       0.79006146 
           0.78183286       0.18314577       0.22921477 
           0.51353183       0.18539460       0.02937728 
           0.82126841       0.18165808       0.75257812 
           0.25750970       0.70006527       0.92211180 
           0.72633992       0.69000822       0.37876170 
           0.85616311       0.66062245       0.85111888 
           0.53361326       0.70637411       0.64467479 
           0.08350832       0.71940893       0.64480719 
           0.07758085       0.60295439       0.58382791 
           0.17405645       0.59662852       0.15312654 
           0.92393450       0.59509752       0.11125369 
           0.66861970       0.59687304       0.14593057 
           0.41819812       0.60556160       0.10331786 
           0.81411197       0.45187621       0.94993884 
           0.26840415       0.71465982       0.41637269 
           0.29840700       0.65993911       0.32928004 
           0.99825916       0.14971784       0.49025022 
           0.13056806       0.17353765       0.19496925 
           0.05678784       0.17289711       0.77409683 
           0.69907854       0.17886058       0.15996229 
           0.41307321       0.18144356       0.08627847 
           0.85810064       0.18349101       0.66395853 
           0.30180411       0.76151298       0.34579133 
           0.31881519       0.67598996       0.41505907 
   
  
  
           1 
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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 
   
  
  
          0.02027585       0.46153793       0.07466825 
          0.00828154       0.54308657       0.43328415 
          0.27161747       0.46400542       0.19460301 
          0.26260076       0.54275174       0.31236300 
          0.00272162       0.23784632       0.43198323 
          0.25272162       0.23784632       0.31699783 
          0.00272162       0.31076368       0.06260037 
          0.25272162       0.31076368       0.18638069 
          0.00272162       0.38726781       0.43621282 
          0.25272162       0.38726781       0.31276824 
          0.01206906       0.46516718       0.55477855 
          0.01786847       0.54061241       0.95533607 
          0.25652484       0.46903030       0.69033537 
          0.24054662       0.55177929       0.81308336 
          0.25272162       0.23784632       0.81699783 
          0.00272162       0.31076368       0.56260037 
          0.25272162       0.31076368       0.68638069 
          0.00272162       0.38726781       0.93621282 
          0.25272162       0.38726781       0.81276824 
          0.51049486       0.46751929       0.05325696 
          0.51627503       0.54449140       0.43383021 
          0.75466787       0.46279416       0.19094929 
          0.76228782       0.54034794       0.30562723 
          0.50272162       0.23784632       0.43198323 
          0.75272162       0.23784632       0.31699783 
          0.50272162       0.31076368       0.06260037 
          0.75272162       0.31076368       0.18638069 
          0.50272162       0.38726781       0.43621282 
          0.75272162       0.38726781       0.31276824 
          0.50587841       0.46626058       0.55924703 
          0.48867663       0.55320990       0.93965538 
          0.76171511       0.46475152       0.67891620 
          0.75541875       0.52989065       0.84213527 
          0.50272162       0.23784632       0.93198323 
          0.75272162       0.23784632       0.81699783 
          0.75272162       0.31076368       0.68638069 
          0.50272162       0.38726781       0.93621282 
          0.75272162       0.38726781       0.81276824 
          0.10651020       0.66823345       0.78722492 
          0.51789659       0.66522046       0.48313863 
          0.18655668       0.61070458       0.74214479 
          0.53202350       0.60150392       0.51331953 
          0.98005927       0.59339248       0.52950616 
          0.27491632       0.59526135       0.21464050 
          0.02935786       0.59187000       0.05398945 
          0.76978029       0.59084249       0.20309411 
          0.51181030       0.60397368       0.03791787 
          0.70943522       0.47427836       0.93183944 
          0.98730350       0.18419741       0.52926193 
          0.24830181       0.18404535       0.21992559 
          0.18291890       0.17793567       0.79006146 
          0.78183286       0.18314577       0.22921477 
          0.51353183       0.18539460       0.02937728 
          0.82126841       0.18165808       0.75257812 
          0.25750970       0.70006527       0.92211180 
          0.72633992       0.69000822       0.37876170 
          0.85616311       0.66062245       0.85111888 
          0.53361326       0.70637411       0.64467479 
          0.08350832       0.71940893       0.64480719 
          0.07758085       0.60295439       0.58382791 
          0.17405645       0.59662852       0.15312654 
          0.92393450       0.59509752       0.11125369 
          0.66861970       0.59687304       0.14593057 
          0.41819812       0.60556160       0.10331786 
          0.81411197       0.45187621       0.94993884 
          0.26840415       0.71465982       0.41637269 
          0.29840700       0.65993911       0.32928004 
          0.99825916       0.14971784       0.49025022 
          0.13056806       0.17353765       0.19496925 
          0.05678784       0.17289711       0.77409683 
          0.69907854       0.17886058       0.15996229 
          0.41307321       0.18144356       0.08627847 
          0.85810064       0.18349101       0.66395853 
          0.30180411       0.76151298       0.34579133 
          0.31881519       0.67598996       0.41505907 
  
  
     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 
  
 
 
  
      23.92   23.93
      25.89   25.90
   
        123.65170997 
      23534.75907670 
     -35016.03543041 
        173.18645738 
      10239.95902789 
      -9563.30171726 
          0.01279343 
       -367.18526755 
      12674.55391393 
       1799.60056410 
       1799.58777066 
       1799.59629962 
   
  
  
      30.55   30.56
      30.55   30.56
   
       -115.97523589 
       -115.95883416 
       -115.96976865 
   
  
  
      27.33   27.34
      27.33   27.34
   
       -406.87034312 
       -406.82034989 
       -406.85367871 
   
  
  
      29.00   29.05
      29.00   29.05
   
       -419.89176211 
       -419.83788583 
       -419.87380335 
   
  
  
      30.51   30.55
      30.86   30.90
   
       -420.37215390 
       -420.31858505 
       -420.35429762 
   
  
  
      29.21   29.25
      30.65   30.69
   
       -395.84784523 
       -395.91081082 
       -395.86883376 
   
  
  
      27.00   27.06
      28.67   28.72
   
       -394.67479876 
       -394.62758046 
       -394.65905933 
   
  
  
      28.48   28.53
      30.00   30.05
   
       -394.67828771 
       -394.71962924 
       -394.69206822 
   
  
  
      28.95   29.00
      30.67   30.73
   
       -393.43822578 
       -393.39564955 
       -393.42403370 
   
  
  
      28.69   28.74
      30.37   30.42
   
       -393.57714631 
       -393.64153467 
       -393.59860910 
   
  
  
      27.66   27.71
      29.33   29.38
   
       -392.92055954 
       -392.85227306 
       -392.89779738 
   
  
  
      29.30   29.34
      30.85   30.90
   
       -392.90409361 
       -392.81497555 
       -392.87438759 
   
  
  
      27.75   27.80
      29.45   29.50
   
       -392.96014244 
       -392.94166371 
       -392.95398286 
   
  
  
      28.02   28.08
      29.64   29.70
   
       -392.93053123 
       -392.87686175 
       -392.91264140 
   
  
  
      30.12   30.16
      31.68   31.73
   
       -393.01897600 
       -392.97713302 
       -393.00502834 
   
  
  
      27.30   27.36
      28.95   29.01
   
       -392.97556193 
       -392.92134435 
       -392.95748941 
   
  
  
      32.74   32.78
      34.25   34.28
   
       -392.88803952 
       -392.79672995 
       -392.85760299 
   
  
  
      27.40   27.45
      28.71   28.76
   
       -392.89180404 
       -392.80214974 
       -392.86191927 
   
  
  
      28.50   28.56
      29.82   29.89
   
       -392.89280180 
       -392.80358708 
       -392.86306356 
   
  
  
      26.91   26.95
      28.27   28.32
   
       -392.89337471 
       -392.80484842 
       -392.86386595 
   
  
  
      21.38   21.41
      22.82   22.85
   
       -392.89332868 
       -392.80479773 
       -392.86381836 
   
  
  
      22.75   22.83
      24.22   24.30
   
       -392.89315132 
       -392.80427873 
       -392.86352712 
   
  
  
      26.56   26.60
      27.91   27.96
   
       -392.89198860 
       -392.80053337 
       -392.86150352