vasp 
  6.1.1  
  19Jun20 (build Jun 25 2020 02:42:34) complex                          parallel 
  Lin64 
  2021 06 20 
  09:02:44 
 
 
   No title
       0
   Normal
   Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      250.00000000
        1.11000000      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 
   
  
  
          0.06394013       0.13075927       0.60111645 
          0.18755524       0.12513217       0.40340647 
          0.06255524       0.12513217       0.33761242 
          0.19050378       0.13343173       0.66820877 
          0.06253030       0.00057353       0.53697296 
          0.18755524       0.00013217       0.46843908 
          0.06255524       0.00013217       0.27176961 
          0.13245861       0.00385800       0.70807446 
          0.06469711       0.37461352       0.60479472 
          0.18755524       0.37513217       0.40340647 
          0.06255524       0.37513217       0.33761242 
          0.19376127       0.36620599       0.66854484 
          0.06281095       0.25335684       0.53419120 
          0.18755524       0.25013217       0.46843908 
          0.06255524       0.25013217       0.27176961 
          0.22913116       0.24914398       0.73829792 
          0.06275952       0.62375411       0.60249062 
          0.18755524       0.62513217       0.40340647 
          0.06255524       0.62513217       0.33761242 
          0.19180881       0.62312237       0.66497232 
          0.06277057       0.49846854       0.53685827 
          0.18755524       0.50013217       0.46843908 
          0.06255524       0.50013217       0.27176961 
          0.25720985       0.49576629       0.70127316 
          0.06228280       0.86874651       0.59875319 
          0.18755524       0.87513217       0.40340647 
          0.06255524       0.87513217       0.33761242 
          0.18702941       0.87526923       0.66479962 
          0.06256047       0.74572587       0.53333527 
          0.18755524       0.75013217       0.46843908 
          0.06255524       0.75013217       0.27176961 
          0.25682835       0.74996519       0.70158789 
          0.31150224       0.11957839       0.59926866 
          0.43755524       0.12513217       0.40340647 
          0.31255524       0.12513217       0.33761242 
          0.43852623       0.12488009       0.66354903 
          0.31234349       0.00088828       0.53061930 
          0.43755524       0.00013217       0.46843908 
          0.31255524       0.00013217       0.27176961 
          0.49965579       0.99665755       0.70463337 
          0.31290030       0.37445020       0.59501308 
          0.43755524       0.37513217       0.40340647 
          0.31255524       0.37513217       0.33761242 
          0.43328059       0.38367363       0.66713732 
          0.31208710       0.24633276       0.53370239 
          0.43755524       0.25013217       0.46843908 
          0.31255524       0.25013217       0.27176961 
          0.37439925       0.25292800       0.70247359 
          0.31602793       0.62637343       0.59424729 
          0.43755524       0.62513217       0.40340647 
          0.31255524       0.62513217       0.33761242 
          0.43049995       0.62368787       0.66889545 
          0.31278746       0.50021332       0.53117028 
          0.43755524       0.50013217       0.46843908 
          0.31255524       0.50013217       0.27176961 
          0.40114134       0.50176834       0.73668370 
          0.31351321       0.88150905       0.59932118 
          0.43755524       0.87513217       0.40340647 
          0.31255524       0.87513217       0.33761242 
          0.43550365       0.86817001       0.66735940 
          0.31280881       0.75451968       0.53367029 
          0.43755524       0.75013217       0.46843908 
          0.31255524       0.75013217       0.27176961 
          0.40139849       0.74808429       0.73412414 
          0.56395942       0.13165882       0.59825709 
          0.68755524       0.12513217       0.40340647 
          0.56255524       0.12513217       0.33761242 
          0.68365505       0.11692736       0.66813643 
          0.56262277       0.00028464       0.53663558 
          0.68755524       0.00013217       0.46843908 
          0.56255524       0.00013217       0.27176961 
          0.64509296       0.00020215       0.73713845 
          0.56287972       0.37716017       0.60460238 
          0.68755524       0.37513217       0.40340647 
          0.56255524       0.37513217       0.33761242 
          0.69313668       0.38319911       0.66639371 
          0.56283321       0.25566873       0.53403831 
          0.68755524       0.25013217       0.46843908 
          0.56255524       0.25013217       0.27176961 
          0.74143583       0.24882930       0.70299001 
          0.56118888       0.62457959       0.60629884 
          0.68755524       0.62513217       0.40340647 
          0.56255524       0.62513217       0.33761242 
          0.69299827       0.61809688       0.66675309 
          0.56226491       0.50138064       0.53712937 
          0.68755524       0.50013217       0.46843908 
          0.56255524       0.50013217       0.27176961 
          0.72432119       0.50029176       0.73804451 
          0.56209668       0.86987261       0.60025806 
          0.68755524       0.87513217       0.40340647 
          0.56255524       0.87513217       0.33761242 
          0.68397099       0.88218361       0.66920126 
          0.56250012       0.74576484       0.53483359 
          0.68755524       0.75013217       0.46843908 
          0.56255524       0.75013217       0.27176961 
          0.73447634       0.75067838       0.71134795 
          0.81228610       0.11958604       0.60309978 
          0.93755524       0.12513217       0.40340647 
          0.81255524       0.12513217       0.33761242 
          0.93984086       0.12282096       0.66807222 
          0.81277492       0.00055107       0.53178701 
          0.93755524       0.00013217       0.46843908 
          0.81255524       0.00013217       0.27176961 
          0.98486525       0.00028624       0.72755936 
          0.81162552       0.37415139       0.59386573 
          0.93755524       0.37513217       0.40340647 
          0.81255524       0.37513217       0.33761242 
          0.93353267       0.37015345       0.66530433 
          0.81291853       0.24460589       0.53430005 
          0.93755524       0.25013217       0.46843908 
          0.81255524       0.25013217       0.27176961 
          0.88944467       0.24746334       0.72248922 
          0.81029771       0.62730354       0.59361356 
          0.93755524       0.62513217       0.40340647 
          0.81255524       0.62513217       0.33761242 
          0.93298453       0.62632956       0.66415564 
          0.81238467       0.50044804       0.53091866 
          0.93755524       0.50013217       0.46843908 
          0.81255524       0.50013217       0.27176961 
          0.86792371       0.49823336       0.70007989 
          0.81164794       0.88069272       0.60333067 
          0.93755524       0.87513217       0.40340647 
          0.81255524       0.87513217       0.33761242 
          0.94068979       0.87905847       0.66745278 
          0.81245375       0.75639892       0.53409758 
          0.93755524       0.75013217       0.46843908 
          0.81255524       0.75013217       0.27176961 
          0.88294908       0.75255644       0.71213163 
          0.75252865       0.75477556       0.90092227 
          0.77855193       0.66294685       0.90115336 
          0.65998675       0.75883389       0.87932228 
          0.82316598       0.79928501       0.86432188 
          0.75110960       0.79796122       0.96574832 
  
 
 
          1 
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        129 
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        131 
        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
       250.00000000
       400.00000000
         0.00001000
       38
       10
      328
       -1
       -1
       520.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -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
        250.00000000
    
      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
   
  
  
       60
       60
       84
      120
      120
      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      0.32000000
      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      1.00000000
         0.00000000      0.00000000
         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 
         2 
  
   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
    H    2
    H    2
    H    2
    H    2
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
     129Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       4H       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 
   
  
  
          0.06394013       0.13075927       0.60111645 
          0.18755524       0.12513217       0.40340647 
          0.06255524       0.12513217       0.33761242 
          0.19050378       0.13343173       0.66820877 
          0.06253030       0.00057353       0.53697296 
          0.18755524       0.00013217       0.46843908 
          0.06255524       0.00013217       0.27176961 
          0.13245861       0.00385800       0.70807446 
          0.06469711       0.37461352       0.60479472 
          0.18755524       0.37513217       0.40340647 
          0.06255524       0.37513217       0.33761242 
          0.19376127       0.36620599       0.66854484 
          0.06281095       0.25335684       0.53419120 
          0.18755524       0.25013217       0.46843908 
          0.06255524       0.25013217       0.27176961 
          0.22913116       0.24914398       0.73829792 
          0.06275952       0.62375411       0.60249062 
          0.18755524       0.62513217       0.40340647 
          0.06255524       0.62513217       0.33761242 
          0.19180881       0.62312237       0.66497232 
          0.06277057       0.49846854       0.53685827 
          0.18755524       0.50013217       0.46843908 
          0.06255524       0.50013217       0.27176961 
          0.25720985       0.49576629       0.70127316 
          0.06228280       0.86874651       0.59875319 
          0.18755524       0.87513217       0.40340647 
          0.06255524       0.87513217       0.33761242 
          0.18702941       0.87526923       0.66479962 
          0.06256047       0.74572587       0.53333527 
          0.18755524       0.75013217       0.46843908 
          0.06255524       0.75013217       0.27176961 
          0.25682835       0.74996519       0.70158789 
          0.31150224       0.11957839       0.59926866 
          0.43755524       0.12513217       0.40340647 
          0.31255524       0.12513217       0.33761242 
          0.43852623       0.12488009       0.66354903 
          0.31234349       0.00088828       0.53061930 
          0.43755524       0.00013217       0.46843908 
          0.31255524       0.00013217       0.27176961 
          0.49965579       0.99665755       0.70463337 
          0.31290030       0.37445020       0.59501308 
          0.43755524       0.37513217       0.40340647 
          0.31255524       0.37513217       0.33761242 
          0.43328059       0.38367363       0.66713732 
          0.31208710       0.24633276       0.53370239 
          0.43755524       0.25013217       0.46843908 
          0.31255524       0.25013217       0.27176961 
          0.37439925       0.25292800       0.70247359 
          0.31602793       0.62637343       0.59424729 
          0.43755524       0.62513217       0.40340647 
          0.31255524       0.62513217       0.33761242 
          0.43049995       0.62368787       0.66889545 
          0.31278746       0.50021332       0.53117028 
          0.43755524       0.50013217       0.46843908 
          0.31255524       0.50013217       0.27176961 
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          0.31351321       0.88150905       0.59932118 
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          0.43755524       0.75013217       0.46843908 
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          0.56255524       0.12513217       0.33761242 
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          0.56255524       0.00013217       0.27176961 
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          0.56255524       0.25013217       0.27176961 
          0.74143583       0.24882930       0.70299001 
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          0.68755524       0.87513217       0.40340647 
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          0.93755524       0.62513217       0.40340647 
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          0.93755524       0.87513217       0.40340647 
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          0.93755524       0.75013217       0.46843908 
          0.81255524       0.75013217       0.27176961 
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          0.75252865       0.75477556       0.90092227 
          0.77855193       0.66294685       0.90115336 
          0.65998675       0.75883389       0.87932228 
          0.82316598       0.79928501       0.86432188 
          0.75110960       0.79796122       0.96574832 
  
  
     T  T  T 
     F  F  F 
     F  F  F 
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      13.66   32.13
      14.75   34.02
   
        115.70992877 
      25603.06422080 
     -38165.36584582 
      -1214.37501326 
      11376.50626006 
      -9107.00841578 
          0.00709634 
       -423.74174342 
      13344.57217335 
       1529.36866103 
       1529.36156469 
       1529.36629558 
   
  
  
      14.61   27.36
      14.66   27.48
   
       -497.55499555 
       -497.57728073 
       -497.56242395 
   
  
  
      14.16   27.83
      14.18   27.88
   
       -666.02082703 
       -665.88309847 
       -665.97491751 
   
  
  
      11.80   30.37
      11.81   30.40
   
       -674.17773694 
       -674.01787830 
       -674.12445072 
   
  
  
      11.86   26.71
      12.08   28.84
   
       -674.39410905 
       -674.23247060 
       -674.34022957 
   
  
  
      11.06   20.05
      13.71   27.38
   
       -660.82575296 
       -660.73036475 
       -660.79395689 
   
  
  
       9.26   19.71
      11.85   28.69
   
       -657.13970705 
       -657.21763904 
       -657.16568438 
   
  
  
      13.82   20.25
      15.98   26.24
   
       -657.22956714 
       -657.19253984 
       -657.21722471 
   
  
  
       8.98   31.45
      12.08   39.12
   
       -657.01147175 
       -657.03302117 
       -657.01865489 
   
  
  
       9.11   17.27
      11.12   23.63
   
       -656.95588620 
       -656.97154678 
       -656.96110639 
   
  
  
      17.57   35.60
      19.45   39.82
   
       -656.94101824 
       -656.90917466 
       -656.93040372 
   
  
  
      10.15   22.56
      11.80   25.02
   
       -656.94210357 
       -656.94200477 
       -656.94207064 
   
  
  
      18.15   25.64
      20.66   31.47
   
       -656.93733828 
       -656.93009175 
       -656.93492277 
   
  
  
      13.86   25.09
      18.02   39.72
   
       -656.93560169 
       -656.91927027 
       -656.93015789