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 
   
  
  
          0.06379227       0.13042773       0.60192791 
          0.18759666       0.12523129       0.40422526 
          0.06259666       0.12523129       0.33843121 
          0.19013847       0.13320526       0.66882836 
          0.06277794       0.00075393       0.53749720 
          0.18759666       0.00023129       0.46925787 
          0.06259666       0.00023129       0.27258840 
          0.13575922       0.00353435       0.71134226 
          0.06419311       0.37451419       0.60559688 
          0.18759666       0.37523129       0.40422526 
          0.06259666       0.37523129       0.33843121 
          0.19370588       0.36619464       0.66891543 
          0.06282367       0.25359126       0.53483032 
          0.18759666       0.25023129       0.46925787 
          0.06259666       0.25023129       0.27258840 
          0.22921905       0.24914168       0.73839829 
          0.06238191       0.62358868       0.60306850 
          0.18759666       0.62523129       0.40422526 
          0.06259666       0.62523129       0.33843121 
          0.19163828       0.62331688       0.66538851 
          0.06289579       0.49833174       0.53747654 
          0.18759666       0.50023129       0.46925787 
          0.06259666       0.50023129       0.27258840 
          0.25705339       0.49593934       0.70143914 
          0.06236915       0.86930455       0.59897431 
          0.18759666       0.87523129       0.40422526 
          0.06259666       0.87523129       0.33843121 
          0.18659239       0.87544998       0.66534429 
          0.06266498       0.74564012       0.53404531 
          0.18759666       0.75023129       0.46925787 
          0.06259666       0.75023129       0.27258840 
          0.25659297       0.75010955       0.70225627 
          0.31156691       0.11963130       0.60004138 
          0.43759666       0.12523129       0.40422526 
          0.31259666       0.12523129       0.33843121 
          0.43876032       0.12524643       0.66416421 
          0.31234219       0.00080635       0.53130850 
          0.43759666       0.00023129       0.46925787 
          0.31259666       0.00023129       0.27258840 
          0.49998772       0.99690493       0.70473072 
          0.31307406       0.37456477       0.59558992 
          0.43759666       0.37523129       0.40422526 
          0.31259666       0.37523129       0.33843121 
          0.43353758       0.38368626       0.66760232 
          0.31212436       0.24635936       0.53442886 
          0.43759666       0.25023129       0.46925787 
          0.31259666       0.25023129       0.27258840 
          0.37444515       0.25312895       0.70295957 
          0.31597219       0.62647338       0.59495973 
          0.43759666       0.62523129       0.40422526 
          0.31259666       0.62523129       0.33843121 
          0.43103342       0.62409937       0.66930356 
          0.31285740       0.50036357       0.53183104 
          0.43759666       0.50023129       0.46925787 
          0.31259666       0.50023129       0.27258840 
          0.40111384       0.50191288       0.73671835 
          0.31346144       0.88159722       0.60012063 
          0.43759666       0.87523129       0.40422526 
          0.31259666       0.87523129       0.33843121 
          0.43575394       0.86815433       0.66785061 
          0.31284308       0.75469317       0.53434047 
          0.43759666       0.75023129       0.46925787 
          0.31259666       0.75023129       0.27258840 
          0.40147230       0.74814960       0.73452566 
          0.56411829       0.13187650       0.59884151 
          0.68759666       0.12523129       0.40422526 
          0.56259666       0.12523129       0.33843121 
          0.68422550       0.11770322       0.66857404 
          0.56247951       0.00039433       0.53722255 
          0.68759666       0.00023129       0.46925787 
          0.56259666       0.00023129       0.27258840 
          0.64561479       0.99916572       0.73545120 
          0.56320862       0.37720783       0.60517400 
          0.68759666       0.37523129       0.40422526 
          0.56259666       0.37523129       0.33843121 
          0.69337276       0.38292975       0.66724265 
          0.56283813       0.25592808       0.53462527 
          0.68759666       0.25023129       0.46925787 
          0.56259666       0.25023129       0.27258840 
          0.74493857       0.24901637       0.70292204 
          0.56174771       0.62453105       0.60679637 
          0.68759666       0.62523129       0.40422526 
          0.56259666       0.62523129       0.33843121 
          0.69282766       0.62211759       0.66812279 
          0.56214911       0.50144661       0.53774937 
          0.68759666       0.50023129       0.46925787 
          0.56259666       0.50023129       0.27258840 
          0.72533033       0.50109129       0.73698271 
          0.56251491       0.87039309       0.60069974 
          0.68759666       0.87523129       0.40422526 
          0.56259666       0.87523129       0.33843121 
          0.68472111       0.87787797       0.66911306 
          0.56244051       0.74596884       0.53544194 
          0.68759666       0.75023129       0.46925787 
          0.56259666       0.75023129       0.27258840 
          0.72794775       0.75144906       0.72905011 
          0.81233619       0.11930805       0.60267406 
          0.93759666       0.12523129       0.40422526 
          0.81259666       0.12523129       0.33843121 
          0.93810943       0.12694684       0.66840469 
          0.81270539       0.00018576       0.53279271 
          0.93759666       0.00023129       0.46925787 
          0.81259666       0.00023129       0.27258840 
          0.98715798       0.00035280       0.72055710 
          0.81246728       0.37410433       0.59508915 
          0.93759666       0.37523129       0.40422526 
          0.81259666       0.37523129       0.33843121 
          0.93309757       0.36934312       0.66661351 
          0.81302998       0.24496679       0.53497278 
          0.93759666       0.25023129       0.46925787 
          0.81259666       0.25023129       0.27258840 
          0.89139767       0.24864192       0.72829968 
          0.81038040       0.62889132       0.59537692 
          0.93759666       0.62523129       0.40422526 
          0.81259666       0.62523129       0.33843121 
          0.93325870       0.62894827       0.66675473 
          0.81255431       0.50112098       0.53231441 
          0.93759666       0.50023129       0.46925787 
          0.81259666       0.50023129       0.27258840 
          0.86974450       0.49874305       0.70109810 
          0.81094749       0.88120175       0.60275679 
          0.93759666       0.87523129       0.40422526 
          0.81259666       0.87523129       0.33843121 
          0.93953277       0.87501750       0.66679790 
          0.81226571       0.75646871       0.53467327 
          0.93759666       0.75023129       0.46925787 
          0.81259666       0.75023129       0.27258840 
          0.88770461       0.75460577       0.72977079 
          0.73810940       0.75306209       0.87511621 
          0.76922349       0.66272859       0.89185484 
          0.63566236       0.74837414       0.87511432 
          0.85821557       0.78178530       0.83517161 
          0.75013369       0.80913635       0.93460320 
  
 
 
          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 
   
  
  
          0.06379227       0.13042773       0.60192791 
          0.18759666       0.12523129       0.40422526 
          0.06259666       0.12523129       0.33843121 
          0.19013847       0.13320526       0.66882836 
          0.06277794       0.00075393       0.53749720 
          0.18759666       0.00023129       0.46925787 
          0.06259666       0.00023129       0.27258840 
          0.13575922       0.00353435       0.71134226 
          0.06419311       0.37451419       0.60559688 
          0.18759666       0.37523129       0.40422526 
          0.06259666       0.37523129       0.33843121 
          0.19370588       0.36619464       0.66891543 
          0.06282367       0.25359126       0.53483032 
          0.18759666       0.25023129       0.46925787 
          0.06259666       0.25023129       0.27258840 
          0.22921905       0.24914168       0.73839829 
          0.06238191       0.62358868       0.60306850 
          0.18759666       0.62523129       0.40422526 
          0.06259666       0.62523129       0.33843121 
          0.19163828       0.62331688       0.66538851 
          0.06289579       0.49833174       0.53747654 
          0.18759666       0.50023129       0.46925787 
          0.06259666       0.50023129       0.27258840 
          0.25705339       0.49593934       0.70143914 
          0.06236915       0.86930455       0.59897431 
          0.18759666       0.87523129       0.40422526 
          0.06259666       0.87523129       0.33843121 
          0.18659239       0.87544998       0.66534429 
          0.06266498       0.74564012       0.53404531 
          0.18759666       0.75023129       0.46925787 
          0.06259666       0.75023129       0.27258840 
          0.25659297       0.75010955       0.70225627 
          0.31156691       0.11963130       0.60004138 
          0.43759666       0.12523129       0.40422526 
          0.31259666       0.12523129       0.33843121 
          0.43876032       0.12524643       0.66416421 
          0.31234219       0.00080635       0.53130850 
          0.43759666       0.00023129       0.46925787 
          0.31259666       0.00023129       0.27258840 
          0.49998772       0.99690493       0.70473072 
          0.31307406       0.37456477       0.59558992 
          0.43759666       0.37523129       0.40422526 
          0.31259666       0.37523129       0.33843121 
          0.43353758       0.38368626       0.66760232 
          0.31212436       0.24635936       0.53442886 
          0.43759666       0.25023129       0.46925787 
          0.31259666       0.25023129       0.27258840 
          0.37444515       0.25312895       0.70295957 
          0.31597219       0.62647338       0.59495973 
          0.43759666       0.62523129       0.40422526 
          0.31259666       0.62523129       0.33843121 
          0.43103342       0.62409937       0.66930356 
          0.31285740       0.50036357       0.53183104 
          0.43759666       0.50023129       0.46925787 
          0.31259666       0.50023129       0.27258840 
          0.40111384       0.50191288       0.73671835 
          0.31346144       0.88159722       0.60012063 
          0.43759666       0.87523129       0.40422526 
          0.31259666       0.87523129       0.33843121 
          0.43575394       0.86815433       0.66785061 
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          0.85821557       0.78178530       0.83517161 
          0.75013369       0.80913635       0.93460320 
  
  
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
       7.07   12.33
       9.04   14.44
   
        115.70992877 
      25636.92186737 
     -38209.10985283 
      -1214.95014021 
      11376.50626006 
      -9107.00841578 
         -0.02630291 
       -416.67584082 
      13344.57217335 
       1525.93967699 
       1525.96597991 
       1525.94844463 
   
  
  
      12.35   32.91
      12.36   32.96
   
       -495.39158700 
       -495.41230765 
       -495.39849388 
   
  
  
      14.53   29.89
      14.56   29.99
   
       -663.48361998 
       -663.24739350 
       -663.40487782 
   
  
  
      24.07   33.16
      24.09   33.21
   
       -672.10517417 
       -671.87275685 
       -672.02770173 
   
  
  
       9.85   25.08
      10.06   25.83
   
       -672.32610387 
       -672.09273925 
       -672.24831566 
   
  
  
       9.90   18.06
      11.55   23.53
   
       -659.29529187 
       -659.21567394 
       -659.26875256 
   
  
  
      13.99   35.50
      15.46   38.76
   
       -655.92704721 
       -655.88106719 
       -655.91172053 
   
  
  
      11.12   25.44
      13.19   32.20
   
       -656.03132139 
       -655.98795257 
       -656.01686512 
   
  
  
      13.55   20.32
      19.82   27.56
   
       -655.64810171 
       -655.59681036 
       -655.63100459 
   
  
  
      14.03   25.21
      15.22   32.66
   
       -655.58042942 
       -655.51636943 
       -655.55907609 
   
  
  
      16.57   37.18
      18.15   40.41
   
       -655.57032744 
       -655.50055579 
       -655.54707023 
   
  
  
      11.92   18.97
      13.17   23.62
   
       -655.57286660 
       -655.50569122 
       -655.55047480 
   
  
  
      10.78   24.59
      14.26   31.21
   
       -655.56551398 
       -655.49470473 
       -655.54191090 
   
  
  
      18.73   36.07
      19.75   41.88
   
       -655.56447799 
       -655.49199173 
       -655.54031590 
   
  
  
       8.35   14.89
       9.93   20.16
   
       -655.56403813 
       -655.49296441 
       -655.54034689