vasp 
  6.1.1  
  19Jun20 (build Jun 25 2020 02:42:34) complex                          parallel 
  Lin64 
  2021 06 20 
  20:39:08 
 
 
   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 
   
  
  
          0.06334421       0.13095828       0.60198986 
          0.18757595       0.12518173       0.40381587 
          0.06257595       0.12518173       0.33802182 
          0.19040005       0.13373083       0.66872465 
          0.06244953       0.00072127       0.53759086 
          0.18757595       0.00018173       0.46884848 
          0.06257595       0.00018173       0.27217901 
          0.13347365       0.00374687       0.70847695 
          0.06352139       0.37457153       0.60558861 
          0.18757595       0.37518173       0.40381587 
          0.06257595       0.37518173       0.33802182 
          0.19345651       0.36640517       0.66881122 
          0.06273770       0.25355185       0.53462357 
          0.18757595       0.25018173       0.46884848 
          0.06257595       0.25018173       0.27217901 
          0.22940666       0.24961877       0.73871754 
          0.06238925       0.62415375       0.60315773 
          0.18757595       0.62518173       0.40381587 
          0.06257595       0.62518173       0.33802182 
          0.19193577       0.62303648       0.66526576 
          0.06256575       0.49858775       0.53758854 
          0.18757595       0.50018173       0.46884848 
          0.06257595       0.50018173       0.27217901 
          0.25741862       0.49576746       0.70164375 
          0.06232643       0.86858902       0.59937301 
          0.18757595       0.87518173       0.40381587 
          0.06257595       0.87518173       0.33802182 
          0.18726305       0.87486051       0.66525998 
          0.06250894       0.74574960       0.53374095 
          0.18757595       0.75018173       0.46884848 
          0.06257595       0.75018173       0.27217901 
          0.25794488       0.74944398       0.70204869 
          0.31172145       0.11971027       0.59986841 
          0.43757595       0.12518173       0.40381587 
          0.31257595       0.12518173       0.33802182 
          0.43890041       0.12503756       0.66410187 
          0.31240648       0.00104334       0.53107069 
          0.43757595       0.00018173       0.46884848 
          0.31257595       0.00018173       0.27217901 
          0.49999715       0.99655963       0.70477219 
          0.31280623       0.37442258       0.59541199 
          0.43757595       0.37518173       0.40381587 
          0.31257595       0.37518173       0.33802182 
          0.43326320       0.38397361       0.66741956 
          0.31215220       0.24630594       0.53411944 
          0.43757595       0.25018173       0.46884848 
          0.31257595       0.25018173       0.27217901 
          0.37465122       0.25316253       0.70297472 
          0.31606511       0.62631077       0.59443559 
          0.43757595       0.62518173       0.40381587 
          0.31257595       0.62518173       0.33802182 
          0.43035073       0.62409857       0.66924682 
          0.31282086       0.50011678       0.53147857 
          0.43757595       0.50018173       0.46884848 
          0.31257595       0.50018173       0.27217901 
          0.40143431       0.50208259       0.73708052 
          0.31375968       0.88160971       0.59967801 
          0.43757595       0.87518173       0.40381587 
          0.31257595       0.87518173       0.33802182 
          0.43572749       0.86792063       0.66785378 
          0.31285887       0.75456236       0.53403098 
          0.43757595       0.75018173       0.46884848 
          0.31257595       0.75018173       0.27217901 
          0.40256072       0.74809445       0.73533887 
          0.56413177       0.13172330       0.59855236 
          0.68757595       0.12518173       0.40381587 
          0.56257595       0.12518173       0.33802182 
          0.68449496       0.11797777       0.66791962 
          0.56269329       0.00014202       0.53707727 
          0.68757595       0.00018173       0.46884848 
          0.56257595       0.00018173       0.27217901 
          0.64562082       0.00030532       0.73637948 
          0.56277018       0.37730362       0.60479374 
          0.68757595       0.37518173       0.40381587 
          0.56257595       0.37518173       0.33802182 
          0.69294513       0.38310236       0.66669619 
          0.56281424       0.25574113       0.53433819 
          0.68757595       0.25018173       0.46884848 
          0.56257595       0.25018173       0.27217901 
          0.74595131       0.24935205       0.70128617 
          0.56095375       0.62475534       0.60684856 
          0.68757595       0.62518173       0.40381587 
          0.56257595       0.62518173       0.33802182 
          0.69171054       0.61875236       0.66830027 
          0.56229936       0.50165203       0.53751098 
          0.68757595       0.50018173       0.46884848 
          0.56257595       0.50018173       0.27217901 
          0.72534761       0.50024403       0.73798975 
          0.56229798       0.86974415       0.60075481 
          0.68757595       0.87518173       0.40381587 
          0.56257595       0.87518173       0.33802182 
          0.68402069       0.88103249       0.66976903 
          0.56252366       0.74573002       0.53525826 
          0.68757595       0.75018173       0.46884848 
          0.56257595       0.75018173       0.27217901 
          0.73219847       0.75039014       0.71419341 
          0.81258937       0.11876755       0.60241372 
          0.93757595       0.12518173       0.40381587 
          0.81257595       0.12518173       0.33802182 
          0.93797245       0.12758095       0.66858764 
          0.81285181       0.99942990       0.53235709 
          0.93757595       0.00018173       0.46884848 
          0.81257595       0.00018173       0.27217901 
          0.98586966       0.00195451       0.72190198 
          0.81165950       0.37458710       0.59415155 
          0.93757595       0.37518173       0.40381587 
          0.81257595       0.37518173       0.33802182 
          0.93222377       0.36846148       0.66638622 
          0.81288866       0.24488211       0.53461181 
          0.93757595       0.25018173       0.46884848 
          0.81257595       0.25018173       0.27217901 
          0.89221337       0.24879145       0.72998119 
          0.81006675       0.62800337       0.59585165 
          0.93757595       0.62518173       0.40381587 
          0.81257595       0.62518173       0.33802182 
          0.93354434       0.62734077       0.66611109 
          0.81236545       0.50151372       0.53193251 
          0.93757595       0.50018173       0.46884848 
          0.81257595       0.50018173       0.27217901 
          0.86889219       0.49827574       0.70009993 
          0.81160684       0.87964597       0.60396132 
          0.93757595       0.87518173       0.40381587 
          0.81257595       0.87518173       0.33802182 
          0.94031610       0.87748576       0.66803365 
          0.81247227       0.75571413       0.53478716 
          0.93757595       0.75018173       0.46884848 
          0.81257595       0.75018173       0.27217901 
          0.88224235       0.75248674       0.71467080 
          0.74787671       0.75161697       0.88391326 
          0.76854277       0.65884080       0.89865354 
          0.66074505       0.75863479       0.85446883 
          0.81659538       0.78369035       0.83738684 
          0.75497445       0.80561143       0.94310019 
  
 
 
          1 
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          4 
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          8 
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        125 
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        127 
        128 
        129 
        130 
        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 
   
  
  
          0.06334421       0.13095828       0.60198986 
          0.18757595       0.12518173       0.40381587 
          0.06257595       0.12518173       0.33802182 
          0.19040005       0.13373083       0.66872465 
          0.06244953       0.00072127       0.53759086 
          0.18757595       0.00018173       0.46884848 
          0.06257595       0.00018173       0.27217901 
          0.13347365       0.00374687       0.70847695 
          0.06352139       0.37457153       0.60558861 
          0.18757595       0.37518173       0.40381587 
          0.06257595       0.37518173       0.33802182 
          0.19345651       0.36640517       0.66881122 
          0.06273770       0.25355185       0.53462357 
          0.18757595       0.25018173       0.46884848 
          0.06257595       0.25018173       0.27217901 
          0.22940666       0.24961877       0.73871754 
          0.06238925       0.62415375       0.60315773 
          0.18757595       0.62518173       0.40381587 
          0.06257595       0.62518173       0.33802182 
          0.19193577       0.62303648       0.66526576 
          0.06256575       0.49858775       0.53758854 
          0.18757595       0.50018173       0.46884848 
          0.06257595       0.50018173       0.27217901 
          0.25741862       0.49576746       0.70164375 
          0.06232643       0.86858902       0.59937301 
          0.18757595       0.87518173       0.40381587 
          0.06257595       0.87518173       0.33802182 
          0.18726305       0.87486051       0.66525998 
          0.06250894       0.74574960       0.53374095 
          0.18757595       0.75018173       0.46884848 
          0.06257595       0.75018173       0.27217901 
          0.25794488       0.74944398       0.70204869 
          0.31172145       0.11971027       0.59986841 
          0.43757595       0.12518173       0.40381587 
          0.31257595       0.12518173       0.33802182 
          0.43890041       0.12503756       0.66410187 
          0.31240648       0.00104334       0.53107069 
          0.43757595       0.00018173       0.46884848 
          0.31257595       0.00018173       0.27217901 
          0.49999715       0.99655963       0.70477219 
          0.31280623       0.37442258       0.59541199 
          0.43757595       0.37518173       0.40381587 
          0.31257595       0.37518173       0.33802182 
          0.43326320       0.38397361       0.66741956 
          0.31215220       0.24630594       0.53411944 
          0.43757595       0.25018173       0.46884848 
          0.31257595       0.25018173       0.27217901 
          0.37465122       0.25316253       0.70297472 
          0.31606511       0.62631077       0.59443559 
          0.43757595       0.62518173       0.40381587 
          0.31257595       0.62518173       0.33802182 
          0.43035073       0.62409857       0.66924682 
          0.31282086       0.50011678       0.53147857 
          0.43757595       0.50018173       0.46884848 
          0.31257595       0.50018173       0.27217901 
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          0.68757595       0.87518173       0.40381587 
          0.56257595       0.87518173       0.33802182 
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          0.68757595       0.75018173       0.46884848 
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          0.93757595       0.62518173       0.40381587 
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          0.93757595       0.87518173       0.40381587 
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          0.93757595       0.75018173       0.46884848 
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          0.76854277       0.65884080       0.89865354 
          0.66074505       0.75863479       0.85446883 
          0.81659538       0.78369035       0.83738684 
          0.75497445       0.80561143       0.94310019 
  
  
     T  T  T 
     F  F  F 
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      11.72   11.83
      12.38   12.50
   
        115.70992877 
      25706.23466395 
     -38269.13416958 
      -1214.27386379 
      11376.50626006 
      -9107.00841578 
         -0.01764347 
       -422.24442655 
      13344.57217335 
       1530.34450696 
       1530.36215043 
       1530.35038812 
   
  
  
      13.65   13.67
      13.65   13.67
   
       -498.08814994 
       -498.09612383 
       -498.09080791 
   
  
  
      13.29   13.32
      13.29   13.32
   
       -665.53844423 
       -665.35186011 
       -665.47624952