vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2023 08 24 
  12:51:45 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     180
       2
      -1
        0.00010000
       -0.02000000
       0
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       1
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  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
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       7848.63264950 
    
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          2        1        1 
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          0.50000000 
          0.50000000 
  
 
 
  
   No title
    F  
  
  
   normal
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         0.00010000
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       10
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       -1
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        0
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     T  
     T  
   
   
     T  
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      -100
         2
     F  
   
   
         0
         2
         1
   
   
         1
     F  
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         -1.00000000
     F  
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     F  
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     F  
   
   
     F  
     F  
   
   
       180
        -5
         2
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      T  
      F  
           0.00000000
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          4
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          0.40000000
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          4
      F  
        -45
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          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       64
       96
      160
      128
      192
      320
    F  
  
  
        0
       -1
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        2
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        -3.00000000
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         0.00010000
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        2
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        0
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        1
    F  
    F  
    F  
    F  
    F  
    F  
    F  
    F  
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        1
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
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    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
        20.56410301
         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
      180
        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  
  
 
 
       229 
         6 
  
   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
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      28Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      36Ge     72.61000000     14.00000000  PAW_PBE Ge_d 03Jul2007                
      37O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      24Al     26.98100000      3.00000000  PAW_PBE Al 04Jan2001                  
      26C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      78H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          12.47140000       0.00000000       0.00000000 
          -3.04885115      19.22970392       0.00000000 
           0.00000000       0.00000000      32.72700000 
   
      7848.63264950 
   
           0.08018346       0.01271301       0.00000000 
           0.00000000       0.05200288       0.00000000 
           0.00000000       0.00000000       0.03055581 
   
  
  
          0.35340659       0.01396875       0.33262451 
          0.04090659       0.95146875       0.33262451 
          0.91590659       0.82646875       0.24907759 
          0.19715659       0.98271875       0.29085105 
          0.66590659       0.57646875       0.24907759 
          0.97840659       0.63896875       0.24907759 
          0.94715659       0.73271875       0.29085105 
          0.82215659       0.60771875       0.20730413 
          0.72840659       0.38896875       0.24907759 
          0.69715659       0.48271875       0.29085105 
          0.29090659       0.20146875       0.33262451 
          0.16590659       0.07646875       0.24907759 
          0.47840659       0.13896875       0.24907759 
          0.32215659       0.10771875       0.20730413 
          0.85340659       0.01396875       0.24907759 
          0.38465659       0.92021875       0.20730413 
          0.60340659       0.76396875       0.24907759 
          0.00965659       0.54521875       0.29085105 
          0.32215659       0.60771875       0.29085105 
          0.10340659       0.26396875       0.24907759 
          0.07215659       0.35771875       0.29085105 
          0.94715659       0.23271875       0.20730413 
          0.00965659       0.04521875       0.20730413 
          0.88465659       0.92021875       0.29085105 
          0.63465659       0.67021875       0.29085105 
          0.38465659       0.42021875       0.29085105 
          0.25965659       0.29521875       0.20730413 
          0.13465659       0.17021875       0.29085105 
          0.22840659       0.88896875       0.24907759 
          0.10340659       0.76396875       0.33262451 
          0.07215659       0.85771875       0.20730413 
          0.79090659       0.70146875       0.33262451 
          0.85340659       0.51396875       0.33262451 
          0.54090659       0.45146875       0.33262451 
          0.41590659       0.32646875       0.24907759 
          0.60340659       0.26396875       0.33262451 
          0.57215659       0.35771875       0.20730413 
          0.44715659       0.23271875       0.29085105 
          0.54090659       0.95146875       0.24907759 
          0.50965659       0.04521875       0.29085105 
          0.72840659       0.88896875       0.33262451 
          0.69715659       0.98271875       0.20730413 
          0.41590659       0.82646875       0.33262451 
          0.29090659       0.70146875       0.24907759 
          0.25965659       0.79521875       0.29085105 
          0.57215659       0.85771875       0.29085105 
          0.47840659       0.63896875       0.33262451 
          0.44715659       0.73271875       0.20730413 
          0.16590659       0.57646875       0.33262451 
          0.13465659       0.67021875       0.20730413 
          0.04090659       0.45146875       0.24907759 
          0.35340659       0.51396875       0.24907759 
          0.22840659       0.38896875       0.33262451 
          0.19715659       0.48271875       0.20730413 
          0.91590659       0.32646875       0.33262451 
          0.88465659       0.42021875       0.20730413 
          0.79090659       0.20146875       0.24907759 
          0.75965659       0.29521875       0.29085105 
          0.97840659       0.13896875       0.33262451 
          0.66590659       0.07646875       0.33262451 
          0.63465659       0.17021875       0.20730413 
          0.82215659       0.10771875       0.29085105 
          0.75965659       0.79521875       0.20730413 
          0.50965659       0.54521875       0.20730413 
          0.84455873       0.87985382       0.42018616 
          0.89155616       0.01862217       0.43906676 
          0.75471343       0.13931390       0.37877088 
          0.93106764       0.23525224       0.34712811 
          0.97509335       0.13850107       0.39235501 
          0.74313927       0.39176828       0.37760561 
          0.91291422       0.49867426       0.38371961 
          0.94504551       0.36044427       0.38924008 
          0.77698369       0.59966425       0.35170270 
          0.88176732       0.75719317       0.40666061 
          0.99263142       0.64079675       0.39924031 
          0.00426864       0.88796811       0.36247541 
          0.44305029       0.72542716       0.35659788 
          0.67070890       0.79953308       0.38168569 
          0.58549444       0.65337532       0.38473275 
          0.41410995       0.96170340       0.36697918 
          0.57126835       0.06605463       0.38177468 
          0.67149931       0.97200124       0.35109586 
          0.39400098       0.19272793       0.36173657 
          0.53978084       0.32446690       0.36973717 
          0.59450951       0.21310726       0.38183436 
          0.40492369       0.47274044       0.42123040 
          0.53182456       0.54732746       0.34383735 
          0.63501244       0.50388786       0.41009402 
          0.11505337       0.28612116       0.41092957 
          0.23856247       0.42555808       0.38589014 
          0.15154871       0.54198671       0.38581834 
          0.19218221       0.67528284       0.34799597 
          0.35182104       0.61273906       0.40278622 
          0.10087208       0.79082090       0.38760919 
          0.21564889       0.92209663       0.40118379 
          0.32152598       0.79694889       0.38436519 
          0.05856527       0.03236818       0.35342055 
          0.20013408       0.17399119       0.37553926 
          0.29392821       0.05180841       0.37307240 
          0.33859478       0.29944005       0.40432877 
          0.56748990       0.59967767       0.69706019 
          0.87351812       0.19473663       0.39214877 
          0.85437971       0.41821964       0.40805448 
          0.91756089       0.68142725       0.43523997 
          0.85721598       0.93946087       0.46013071 
          0.55550391       0.73778906       0.39502616 
          0.76677272       0.79688111       0.42278775 
          0.55845651       0.97392467       0.38574572 
          0.63503709       0.14121700       0.40863924 
          0.46356809       0.25207699       0.39951758 
          0.61576124       0.40515307       0.39300652 
          0.53198379       0.48459592       0.44847076 
          0.64613675       0.57774229       0.37733639 
          0.32055158       0.38378430       0.42374312 
          0.28583439       0.51945406       0.40684514 
          0.31575595       0.62785045       0.45727582 
          0.30198296       0.69958538       0.38505469 
          0.22435509       0.83686086       0.41398311 
          0.32492615       0.98390297       0.41074334 
          0.16324151       0.08128213       0.38252042 
          0.21712838       0.23774754       0.41879039 
          0.98254065       0.09219886       0.44023112 
          0.00978633       0.32030240       0.43029010 
          0.02052374       0.55928755       0.40938853 
          0.98220346       0.83828124       0.40765139 
          0.54391883       0.52024897       0.50467765 
          0.65307458       0.62000406       0.76472236 
          0.55402768       0.62309812       0.73805450 
          0.83912564       0.24637135       0.44072186 
          0.81939506       0.41776830       0.46684669 
          0.99078942       0.71390265       0.48818633 
          0.80982782       0.93298205       0.51719147 
          0.49138296       0.74575138       0.44846766 
          0.72069520       0.77252569       0.47940628 
          0.57278114       0.92714914       0.43751217 
          0.64963350       0.11859333       0.46693635 
          0.47972799       0.22332889       0.45715684 
          0.56514386       0.38074790       0.45367248 
          0.77942189       0.62227108       0.45279486 
          0.30527318       0.37135819       0.48416304 
          0.25004152       0.52393925       0.46964617 
          0.35042821       0.65227114       0.51504423 
          0.20846207       0.68981567       0.44058112 
          0.27334193       0.84119943       0.47294935 
          0.37842947       0.01786925       0.46445216 
          0.13795935       0.05383588       0.44125484 
          0.22617796       0.19755911       0.47370722 
          0.96448911       0.14261777       0.49177367 
          0.02768760       0.34864220       0.48819119 
          0.00937829       0.53902350       0.46864975 
          0.02841302       0.87577988       0.46332308 
          0.62497443       0.51430134       0.51615634 
          0.53443868       0.57460574       0.50959834 
          0.48407207       0.48821904       0.52434377 
          0.67396307       0.56722067       0.76474656 
          0.63791190       0.63457525       0.79647980 
          0.72374608       0.65615611       0.75355867 
          0.53320540       0.67637996       0.73781801 
          0.48302265       0.58824544       0.74996702 
          0.63044158       0.62892234       0.68532039 
          0.87646465       0.28061132       0.46523617 
          0.77023046       0.27054089       0.42966148 
          0.80613999       0.20032690       0.45891488 
          0.88683196       0.43076439       0.48797518 
          0.76686003       0.45758786       0.47142982 
          0.77351515       0.36787235       0.47686923 
          0.06524627       0.75220064       0.48826083 
          0.93198677       0.73561746       0.50756842 
          0.00916333       0.66832721       0.50526612 
          0.85769193       0.97635945       0.53404218 
          0.72401010       0.93940295       0.52028338 
          0.81988917       0.88442670       0.53272322 
          0.40370712       0.74682858       0.44790778 
          0.50739104       0.70278862       0.46809779 
          0.52432229       0.79325841       0.46494343 
          0.79682597       0.77471242       0.49678183 
          0.67609557       0.81119556       0.49307543 
          0.67395471       0.72098693       0.48504171 
          0.60798574       0.96635951       0.46002542 
          0.49809285       0.89860347       0.45072585 
          0.62978883       0.89006225       0.43351169 
          0.66684646       0.16180259       0.48870931 
          0.57631127       0.08545602       0.47828110 
          0.71622231       0.08740123       0.46886808 
          0.42960399       0.24670908       0.47908161 
          0.45717803       0.16686715       0.46112267 
          0.56382668       0.23578672       0.46801712 
          0.59958177       0.40134579       0.48306312 
          0.48851288       0.34756596       0.46081023 
          0.62090177       0.34338856       0.44680356 
          0.77081127       0.62514684       0.48623574 
          0.70308156       0.63674579       0.44085173 
          0.77962027       0.56735132       0.44543120 
          0.34433451       0.41760431       0.50068505 
          0.22288956       0.35899998       0.49627354 
          0.34741577       0.32854284       0.49365862 
          0.19133351       0.54619785       0.48849348 
          0.20144027       0.47311343       0.46159457 
          0.31394123       0.51153435       0.49005536 
          0.27442853       0.63679285       0.53216195 
          0.41186876       0.62592555       0.52962598 
          0.37452083       0.70846682       0.51922220 
          0.14540821       0.69761121       0.41787800 
          0.15638945       0.64621853       0.45642848 
          0.21641644       0.73245756       0.46249883 
          0.35337544       0.82512455       0.47699622 
          0.28227984       0.89562448       0.48321736 
          0.21967708       0.81165832       0.49570585 
          0.40524939       0.07434078       0.46491580 
          0.31100390       0.00678577       0.48638569 
          0.44480377       0.99328938       0.47671887 
          0.10459396       0.05583361       0.47237969 
          0.13482561       0.99774475       0.43518387 
          0.22214544       0.07733056       0.44846591 
          0.24765561       0.24121360       0.49496720 
          0.14829351       0.17007304       0.48457670 
          0.28710489       0.16337957       0.47821334 
          0.99237637       0.19867756       0.49453266 
          0.87779989       0.13227378       0.49999331 
          0.00640151       0.11781364       0.51616366 
          0.07749400       0.39944883       0.49374649 
          0.95273604       0.34760878       0.50591492 
          0.07176406       0.30940117       0.50184840 
          0.05746927       0.58076821       0.48649133 
          0.92498400       0.54173112       0.47724047 
          0.02871456       0.48971566       0.48017004 
          0.02616597       0.93273770       0.46313659 
          0.96892902       0.85081320       0.48583190 
          0.10764441       0.87339545       0.47710813 
  
  
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      30.47   30.50
      32.10   32.13
   
        773.09346045 
     498925.64253319 
    -590064.13132662 
       3289.03314655 
      85984.79816423 
    -100465.99103074 
         -0.03229764 
      -4995.53495734 
     118427.16121518 
      11874.03890728 
      11874.07120491 
      11874.04967315 
   
  
  
      33.09   33.08
      33.09   33.09
   
       1237.59489004 
       1237.60237810 
       1237.59738606 
   
  
  
      35.35   35.34
      35.35   35.34
   
      -1108.18548132 
      -1108.24299771 
      -1108.20465345 
   
  
  
      31.90   31.90
      31.90   31.90
   
      -1342.63779310 
      -1342.72495847 
      -1342.66684822 
   
  
  
      35.15   35.15
      35.68   35.68
   
      -1354.80585416 
      -1354.88783323 
      -1354.83318052 
   
  
  
      35.94   35.93
      38.02   38.02
   
      -1211.52656328 
      -1211.51389226 
      -1211.52233961 
   
  
  
      32.44   32.44
      34.55   34.55
   
      -1209.68491062 
      -1209.71168810 
      -1209.69383645 
   
  
  
      32.88   32.88
      34.97   34.97
   
      -1207.56407482 
      -1207.53578115 
      -1207.55464360 
   
  
  
      31.05   31.05
      33.17   33.17
   
      -1206.66280949 
      -1206.66760775 
      -1206.66440891 
   
  
  
      32.36   32.35
      34.47   34.46
   
      -1206.24829295 
      -1206.21695950 
      -1206.23784846 
   
  
  
      32.54   32.53
      34.65   34.64
   
      -1205.97726860 
      -1205.97908799 
      -1205.97787506 
   
  
  
      32.12   32.12
      34.25   34.24
   
      -1205.94739521 
      -1205.94247603 
      -1205.94575549 
   
  
  
      30.29   30.29
      32.42   32.42
   
      -1205.93840174 
      -1205.93192466 
      -1205.93624271 
   
  
  
      31.93   31.93
      34.08   34.08
   
      -1205.93424421 
      -1205.92820711 
      -1205.93223184 
   
  
  
      32.14   32.14
      34.29   34.28
   
      -1205.92777373 
      -1205.92247840 
      -1205.92600862 
   
  
  
      32.11   32.11
      34.27   34.27
   
      -1205.92587692 
      -1205.92014646 
      -1205.92396677 
   
  
  
      53.60   53.60
      57.75   57.75
   
      -1205.92917325 
      -1205.92402981 
      -1205.92745877