vasp 
  6.1.1  
  19Jun20 (build Jun 25 2020 02:42:34) complex                          parallel 
  Lin64 
  2021 07 11 
  20:45:58 
 
 
   No title
       0
   Normal
   Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      262.47200000
        1.11000000      0.99000000      0.32000000
   Auto
       1
        0.20000000
       1
   F  
   F  
       4
   Normal (blocked Davidson)
      60
       1
        0.00001000
       1
 
 
  
   
          15.36108000       0.00000000       0.00000000 
           0.00000000      15.36108000       0.00000000 
           0.00000000       0.00000000      20.86192000 
   
      4922.63661360 
   
           0.06509959       0.00000000       0.00000000 
           0.00000000       0.06509959       0.00000000 
           0.00000000       0.00000000       0.04793423 
   
  
  
          0.05986851       0.13068740       0.59659981 
          0.18520589       0.12497056       0.40174037 
          0.06020589       0.12497056       0.33594632 
          0.18462066       0.12497045       0.66282849 
          0.05990808       0.99876707       0.53540229 
          0.18520589       0.99997056       0.46677298 
          0.06020589       0.99997056       0.27010351 
          0.13538026       0.00006780       0.71411801 
          0.06025077       0.37569029       0.60100838 
          0.18520589       0.37497056       0.40174037 
          0.06020589       0.37497056       0.33594632 
          0.18890838       0.37390059       0.66453112 
          0.05978457       0.25397413       0.53189074 
          0.18520589       0.24997056       0.46677298 
          0.06020589       0.24997056       0.27010351 
          0.25661022       0.24847314       0.70090213 
          0.05808712       0.62525571       0.60321434 
          0.18520589       0.62497056       0.40174037 
          0.06020589       0.62497056       0.33594632 
          0.18861112       0.62556204       0.66477487 
          0.05999758       0.50092567       0.53540800 
          0.18520589       0.49997056       0.46677298 
          0.06020589       0.49997056       0.27010351 
          0.25946589       0.49974307       0.69791423 
          0.05699284       0.86884818       0.59982750 
          0.18520589       0.87497056       0.40174037 
          0.06020589       0.87497056       0.33594632 
          0.18418945       0.87368813       0.66409435 
          0.05976078       0.74635016       0.53281606 
          0.18520589       0.74997056       0.46677298 
          0.06020589       0.74997056       0.27010351 
          0.25753282       0.75046277       0.70177091 
          0.31155506       0.11820338       0.59689564 
          0.43520589       0.12497056       0.40174037 
          0.31020589       0.12497056       0.33594632 
          0.43330876       0.13157814       0.66513744 
          0.30993043       0.99894715       0.52860313 
          0.43520589       0.99997056       0.46677298 
          0.31020589       0.99997056       0.27010351 
          0.49330637       0.99955189       0.69847706 
          0.31274415       0.37299064       0.59277904 
          0.43520589       0.37497056       0.40174037 
          0.31020589       0.37497056       0.33594632 
          0.42930406       0.37300193       0.66646295 
          0.31008223       0.24501385       0.53147076 
          0.43520589       0.24997056       0.46677298 
          0.31020589       0.24997056       0.27010351 
          0.40172887       0.25041621       0.73410291 
          0.31181180       0.62556087       0.59284620 
          0.43520589       0.62497056       0.40174037 
          0.31020589       0.62497056       0.33594632 
          0.42896526       0.62461466       0.66608902 
          0.31039400       0.49933668       0.52961102 
          0.43520589       0.49997056       0.46677298 
          0.31020589       0.49997056       0.27010351 
          0.40338020       0.49878399       0.72976090 
          0.31048586       0.88028005       0.59730185 
          0.43520589       0.87497056       0.40174037 
          0.31020589       0.87497056       0.33594632 
          0.43356673       0.86762273       0.66423854 
          0.31000336       0.75360537       0.53160398 
          0.43520589       0.74997056       0.46677298 
          0.31020589       0.74997056       0.27010351 
          0.40302499       0.74815885       0.73297709 
          0.56022042       0.13095037       0.59879638 
          0.68520589       0.12497056       0.40174037 
          0.56020589       0.12497056       0.33594632 
          0.68476051       0.12743325       0.66655580 
          0.55959793       0.00162047       0.53435159 
          0.68520589       0.99997056       0.46677298 
          0.56020589       0.99997056       0.27010351 
          0.63950611       0.00176053       0.72216269 
          0.56028681       0.37462028       0.60466390 
          0.68520589       0.37497056       0.40174037 
          0.56020589       0.37497056       0.33594632 
          0.69093112       0.37583171       0.66712661 
          0.56020633       0.25458165       0.53258417 
          0.68520589       0.24997056       0.46677298 
          0.56020589       0.24997056       0.27010351 
          0.71904376       0.25044174       0.73065588 
          0.55856855       0.62287447       0.60301269 
          0.68520589       0.62497056       0.40174037 
          0.56020589       0.62497056       0.33594632 
          0.68891885       0.61935388       0.66429534 
          0.56018645       0.49848646       0.53582857 
          0.68520589       0.49997056       0.46677298 
          0.56020589       0.49997056       0.27010351 
          0.71880037       0.49966288       0.73354049 
          0.55636713       0.86954930       0.59437985 
          0.68520589       0.87497056       0.40174037 
          0.56020589       0.87497056       0.33594632 
          0.67988217       0.88135672       0.65955641 
          0.55960563       0.74357791       0.53182695 
          0.68520589       0.74997056       0.46677298 
          0.56020589       0.74997056       0.27010351 
          0.71709228       0.75373500       0.71239895 
          0.80782888       0.11722779       0.59796563 
          0.93520589       0.12497056       0.40174037 
          0.81020589       0.12497056       0.33594632 
          0.93529863       0.12413953       0.66287504 
          0.81018317       0.99768060       0.52930918 
          0.93520589       0.99997056       0.46677298 
          0.81020589       0.99997056       0.27010351 
          0.98724527       0.99886448       0.71254588 
          0.80633514       0.37381447       0.59263514 
          0.93520589       0.37497056       0.40174037 
          0.81020589       0.37497056       0.33594632 
          0.93162226       0.37523972       0.66348421 
          0.81010809       0.24488463       0.53218679 
          0.93520589       0.24997056       0.46677298 
          0.81020589       0.24997056       0.27010351 
          0.86395689       0.24970160       0.69977076 
          0.80816418       0.62548402       0.59392470 
          0.93520589       0.62497056       0.40174037 
          0.81020589       0.62497056       0.33594632 
          0.92829007       0.62858945       0.66683003 
          0.81025682       0.50053932       0.52977351 
          0.93520589       0.49997056       0.46677298 
          0.81020589       0.49997056       0.27010351 
          0.86450762       0.50036342       0.70046909 
          0.80999928       0.87992422       0.59898416 
          0.93520589       0.87497056       0.40174037 
          0.81020589       0.87497056       0.33594632 
          0.93213344       0.86990403       0.66885999 
          0.81037375       0.75342706       0.53239375 
          0.93520589       0.74997056       0.46677298 
          0.81020589       0.74997056       0.27010351 
          0.87507420       0.74843847       0.72709469 
          0.76774773       0.76947643       0.81430199 
          0.87484462       0.56399463       0.88128907 
          0.69939838       0.70733716       0.88756185 
          0.78382517       0.86057477       0.83947217 
          0.79533310       0.56359107       0.86001219 
  
 
 
          1 
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        132 
        133 
 
 
  
          1        1        1 
         0.00000000       0.00000000       0.00000000 
         1.00000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   No title
    F  
  
  
   normal
       262.47200000
       400.00000000
         0.00001000
       38
       10
      336
       -1
       -1
       532.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -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      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
        262.47200000
    
      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
   
  
  
       64
       64
       84
      128
      128
      168
    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      0.99000000      0.32000000
      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
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     35.45300000      1.00000000
         0.00000000      0.00000000      0.00000000
         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
        22.20738322
         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
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
       133 
         3 
  
   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
    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
    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
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Cl   2
    Cl   2
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
     129Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       2Cl     35.45300000      7.00000000  PAW_PBE Cl 06Sep2000                  
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          15.36108000       0.00000000       0.00000000 
           0.00000000      15.36108000       0.00000000 
           0.00000000       0.00000000      20.86192000 
   
      4922.63661360 
   
           0.06509959       0.00000000       0.00000000 
           0.00000000       0.06509959       0.00000000 
           0.00000000       0.00000000       0.04793423 
   
  
  
          0.05986851       0.13068740       0.59659981 
          0.18520589       0.12497056       0.40174037 
          0.06020589       0.12497056       0.33594632 
          0.18462066       0.12497045       0.66282849 
          0.05990808       0.99876707       0.53540229 
          0.18520589       0.99997056       0.46677298 
          0.06020589       0.99997056       0.27010351 
          0.13538026       0.00006780       0.71411801 
          0.06025077       0.37569029       0.60100838 
          0.18520589       0.37497056       0.40174037 
          0.06020589       0.37497056       0.33594632 
          0.18890838       0.37390059       0.66453112 
          0.05978457       0.25397413       0.53189074 
          0.18520589       0.24997056       0.46677298 
          0.06020589       0.24997056       0.27010351 
          0.25661022       0.24847314       0.70090213 
          0.05808712       0.62525571       0.60321434 
          0.18520589       0.62497056       0.40174037 
          0.06020589       0.62497056       0.33594632 
          0.18861112       0.62556204       0.66477487 
          0.05999758       0.50092567       0.53540800 
          0.18520589       0.49997056       0.46677298 
          0.06020589       0.49997056       0.27010351 
          0.25946589       0.49974307       0.69791423 
          0.05699284       0.86884818       0.59982750 
          0.18520589       0.87497056       0.40174037 
          0.06020589       0.87497056       0.33594632 
          0.18418945       0.87368813       0.66409435 
          0.05976078       0.74635016       0.53281606 
          0.18520589       0.74997056       0.46677298 
          0.06020589       0.74997056       0.27010351 
          0.25753282       0.75046277       0.70177091 
          0.31155506       0.11820338       0.59689564 
          0.43520589       0.12497056       0.40174037 
          0.31020589       0.12497056       0.33594632 
          0.43330876       0.13157814       0.66513744 
          0.30993043       0.99894715       0.52860313 
          0.43520589       0.99997056       0.46677298 
          0.31020589       0.99997056       0.27010351 
          0.49330637       0.99955189       0.69847706 
          0.31274415       0.37299064       0.59277904 
          0.43520589       0.37497056       0.40174037 
          0.31020589       0.37497056       0.33594632 
          0.42930406       0.37300193       0.66646295 
          0.31008223       0.24501385       0.53147076 
          0.43520589       0.24997056       0.46677298 
          0.31020589       0.24997056       0.27010351 
          0.40172887       0.25041621       0.73410291 
          0.31181180       0.62556087       0.59284620 
          0.43520589       0.62497056       0.40174037 
          0.31020589       0.62497056       0.33594632 
          0.42896526       0.62461466       0.66608902 
          0.31039400       0.49933668       0.52961102 
          0.43520589       0.49997056       0.46677298 
          0.31020589       0.49997056       0.27010351 
          0.40338020       0.49878399       0.72976090 
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          0.68520589       0.74997056       0.46677298 
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          0.78382517       0.86057477       0.83947217 
          0.79533310       0.56359107       0.86001219 
  
  
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         -3.00000000       0.00000000       0.00010000       0.00010000