vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 13 
  23:06:04 
 
 
  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 
    
   
   
           0.29003986       0.47557474       0.11867045 
           0.94271563       0.60630027       0.42825490 
           0.65976109       0.47153365       0.25332464 
           0.39112731       0.57331235       0.35626559 
           0.00090721       0.23735711       0.43232288 
           0.25090721       0.23735711       0.31733748 
           0.00090721       0.31027447       0.06294002 
           0.25090721       0.31027447       0.18672034 
           0.00090721       0.38677860       0.43655247 
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           0.14841347       0.62056412       0.75982626 
           0.25090721       0.23735711       0.81733748 
           0.00090721       0.31027447       0.56294002 
           0.25090721       0.31027447       0.68672034 
           0.00090721       0.38677860       0.93655247 
           0.25090721       0.38677860       0.81310789 
           0.81083773       0.51624977       0.80438636 
           0.84519088       0.73645220       0.86582951 
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           0.50090721       0.23735711       0.43232288 
           0.75090721       0.23735711       0.31733748 
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           0.50090721       0.38677860       0.43655247 
           0.75090721       0.38677860       0.31310789 
           0.46585379       0.44128145       0.66509037 
           0.41058435       0.60908127       0.83202284 
           0.85193369       0.50513555       0.69096571 
           0.71691359       0.57852816       0.83142334 
           0.50090721       0.23735711       0.93232288 
           0.75090721       0.23735711       0.81733748 
           0.75090721       0.31027447       0.68672034 
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           0.75090721       0.38677860       0.81310789 
           0.03805039       0.69119806       0.77954062 
           0.85034886       0.56599094       0.72110096 
           0.12715017       0.69016614       0.60254347 
           0.44131075       0.62975545       0.52923329 
           0.73050178       0.63638579       0.88756815 
           0.36014244       0.49322458       0.82726281 
           0.02167837       0.62022637       0.13433623 
           0.77037284       0.53995062       0.99641463 
           0.58283623       0.60722434       0.11656458 
           0.70670164       0.52785851       0.99918110 
           0.06531158       0.16947509       0.53431264 
           0.33823566       0.22225947       0.08895464 
           0.13690491       0.17075917       0.97070369 
           0.64733963       0.19036966       0.15161826 
           0.79401367       0.23061799       0.14578316 
           0.87269295       0.18656995       0.77057892 
           0.30623351       0.67109171       0.99384901 
           0.14829344       0.53939119       0.46110079 
           0.87276815       0.62056508       0.84943705 
           0.25721890       0.54940021       0.25659042 
           0.76640943       0.74945700       0.59770725 
           0.17316487       0.70684469       0.37120731 
           0.25218621       0.56640622       0.08346623 
           0.88840005       0.62150612       0.08334317 
           0.73770378       0.64508072       0.16822280 
           0.48650577       0.62845493       0.08227447 
           0.69899512       0.45174065       0.93867047 
           0.06874759       0.62783426       0.45008036 
           0.13394632       0.63254629       0.45005051 
           0.09547500       0.14752761       0.51283628 
           0.32117401       0.16109164       0.26162227 
           0.19515812       0.16760536       0.76715843 
           0.59852493       0.19367077       0.06641590 
           0.46516713       0.16152561       0.08581829 
           0.88590504       0.18776900       0.76863632 
           0.27546437       0.05942882       0.15704925 
           0.06555369       0.83448752       0.96473728 
   
  
  
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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 
   
  
  
          0.29003986       0.47557474       0.11867045 
          0.94271563       0.60630027       0.42825490 
          0.65976109       0.47153365       0.25332464 
          0.39112731       0.57331235       0.35626559 
          0.00090721       0.23735711       0.43232288 
          0.25090721       0.23735711       0.31733748 
          0.00090721       0.31027447       0.06294002 
          0.25090721       0.31027447       0.18672034 
          0.00090721       0.38677860       0.43655247 
          0.25090721       0.38677860       0.31310789 
          0.07217051       0.51474864       0.46046191 
          0.04120060       0.56438724       0.98623199 
          0.19590930       0.50093467       0.76731490 
          0.14841347       0.62056412       0.75982626 
          0.25090721       0.23735711       0.81733748 
          0.00090721       0.31027447       0.56294002 
          0.25090721       0.31027447       0.68672034 
          0.00090721       0.38677860       0.93655247 
          0.25090721       0.38677860       0.81310789 
          0.81083773       0.51624977       0.80438636 
          0.84519088       0.73645220       0.86582951 
          0.85715830       0.47630313       0.19810835 
          0.88339644       0.53856788       0.24940911 
          0.50090721       0.23735711       0.43232288 
          0.75090721       0.23735711       0.31733748 
          0.50090721       0.31027447       0.06294002 
          0.75090721       0.31027447       0.18672034 
          0.50090721       0.38677860       0.43655247 
          0.75090721       0.38677860       0.31310789 
          0.46585379       0.44128145       0.66509037 
          0.41058435       0.60908127       0.83202284 
          0.85193369       0.50513555       0.69096571 
          0.71691359       0.57852816       0.83142334 
          0.50090721       0.23735711       0.93232288 
          0.75090721       0.23735711       0.81733748 
          0.75090721       0.31027447       0.68672034 
          0.50090721       0.38677860       0.93655247 
          0.75090721       0.38677860       0.81310789 
          0.03805039       0.69119806       0.77954062 
          0.85034886       0.56599094       0.72110096 
          0.12715017       0.69016614       0.60254347 
          0.44131075       0.62975545       0.52923329 
          0.73050178       0.63638579       0.88756815 
          0.36014244       0.49322458       0.82726281 
          0.02167837       0.62022637       0.13433623 
          0.77037284       0.53995062       0.99641463 
          0.58283623       0.60722434       0.11656458 
          0.70670164       0.52785851       0.99918110 
          0.06531158       0.16947509       0.53431264 
          0.33823566       0.22225947       0.08895464 
          0.13690491       0.17075917       0.97070369 
          0.64733963       0.19036966       0.15161826 
          0.79401367       0.23061799       0.14578316 
          0.87269295       0.18656995       0.77057892 
          0.30623351       0.67109171       0.99384901 
          0.14829344       0.53939119       0.46110079 
          0.87276815       0.62056508       0.84943705 
          0.25721890       0.54940021       0.25659042 
          0.76640943       0.74945700       0.59770725 
          0.17316487       0.70684469       0.37120731 
          0.25218621       0.56640622       0.08346623 
          0.88840005       0.62150612       0.08334317 
          0.73770378       0.64508072       0.16822280 
          0.48650577       0.62845493       0.08227447 
          0.69899512       0.45174065       0.93867047 
          0.06874759       0.62783426       0.45008036 
          0.13394632       0.63254629       0.45005051 
          0.09547500       0.14752761       0.51283628 
          0.32117401       0.16109164       0.26162227 
          0.19515812       0.16760536       0.76715843 
          0.59852493       0.19367077       0.06641590 
          0.46516713       0.16152561       0.08581829 
          0.88590504       0.18776900       0.76863632 
          0.27546437       0.05942882       0.15704925 
          0.06555369       0.83448752       0.96473728 
  
  
     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 
  
 
 
  
      26.08   26.11
      28.91   28.94
   
        123.65170997 
      25268.73251836 
     -35556.58922410 
        178.09092146 
      10239.95902789 
      -9563.30171726 
          0.00726105 
       -499.95426962 
      12674.55391393 
       2865.15014168 
       2865.14288063 
       2865.14772133 
   
  
  
      31.04   31.06
      31.04   31.06
   
        907.43390190 
        907.42865778 
        907.43215386 
   
  
  
      30.71   30.73
      30.72   30.73
   
        583.51950603 
        583.52864438 
        583.52255214 
   
  
  
      31.59   31.61
      31.59   31.62
   
        566.01758137 
        566.01786659 
        566.01767644 
   
  
  
      34.34   34.36
      34.64   34.66
   
        565.22312548 
        565.21772993 
        565.22132696 
   
  
  
      32.01   32.05
      33.64   33.68
   
        569.91386562 
        569.90155200 
        569.90976108 
   
  
  
      34.79   34.83
      36.72   36.75
   
        380.48941201 
        380.46880711 
        380.48254371 
   
  
  
      35.45   35.50
      36.93   36.97
   
        476.33805998 
        476.33598059 
        476.33736685 
   
  
  
      33.74   33.79
      35.32   35.36
   
        580.19526739 
        580.23274776 
        580.20776085 
   
  
  
      31.34   31.39
      33.05   33.11
   
        613.76063905 
        613.76320016 
        613.76149275 
   
  
  
      29.87   29.93
      31.28   31.35
   
        618.56425301 
        618.57054419 
        618.56635007 
   
  
  
      31.99   32.03
      33.55   33.59
   
        636.24179984 
        636.26418613 
        636.24926194 
   
  
  
      28.38   28.43
      30.05   30.10
   
        643.99161927 
        644.03276713 
        644.00533522 
   
  
  
      31.96   32.02
      33.78   33.84
   
        646.57829597 
        646.57967666 
        646.57875620 
   
  
  
      32.78   32.84
      34.64   34.70
   
        646.33256992 
        646.35698831 
        646.34070938 
   
  
  
      29.28   29.34
      30.88   30.93
   
        645.38978093 
        645.39415990 
        645.39124059 
   
  
  
      29.08   29.14
      31.10   31.16
   
        642.81928155 
        642.87245855 
        642.83700722 
   
  
  
      30.49   30.54
      32.53   32.58
   
        642.54887932 
        642.60214479 
        642.56663447 
   
  
  
      32.02   32.09
      33.82   33.89
   
        643.01906321 
        643.03702066 
        643.02504903 
   
  
  
      27.31   27.36
      29.06   29.12
   
        643.88432184 
        643.94096418 
        643.90320262 
   
  
  
      29.62   29.69
      31.32   31.39
   
        644.19816404 
        644.24699654 
        644.21444154 
   
  
  
      28.81   28.87
      30.37   30.43
   
        644.19747968 
        644.24798273 
        644.21431403 
   
  
  
      33.00   33.05
      34.56   34.62
   
        644.29940151 
        644.35652892 
        644.31844398 
   
  
  
      31.24   31.33
      32.81   32.90
   
        645.27304234 
        645.31407311 
        645.28671926 
   
  
  
      27.08   27.14
      28.76   28.83
   
        645.27546957 
        645.32100152 
        645.29064689 
   
  
  
      34.40   34.45
      35.97   36.02
   
        645.77950805 
        645.83830205 
        645.79910605 
   
  
  
      35.06   35.10
      36.66   36.70
   
        646.19460847 
        646.23769786 
        646.20897160 
   
  
  
      28.52   28.58
      30.16   30.23
   
        646.05264683 
        646.08688834 
        646.06406066 
   
  
  
      31.97   32.06
      33.80   33.90
   
        646.95149736 
        646.97624526 
        646.95974666 
   
  
  
      27.60   27.64
      29.30   29.34
   
        646.89853698 
        646.92187762 
        646.90631719 
   
  
  
      29.21   29.29
      31.14   31.22
   
        646.95214432 
        646.97174385 
        646.95867749 
   
  
  
      31.80   31.85
      33.49   33.54
   
        647.35370575 
        647.49766559 
        647.40169237 
   
  
  
      28.43   28.47
      30.04   30.08
   
        647.20931806 
        647.31595368 
        647.24486327 
   
  
  
      27.69   27.72
      29.37   29.42
   
        647.33940985 
        647.47780332 
        647.38554101