vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2023 09 08 
  11:38:04 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     180
       2
      -1
        0.00010000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      1.22000000      0.73000000      1.18000000      0.77000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           12.47140000       0.00000000       0.00000000 
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       7848.63264950 
    
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           0.12778188       0.95844059       0.35994841 
           0.59193061       0.80913080       0.28005505 
           0.72143219       0.34274914       0.93710926 
           0.89572461       0.57018762       0.35291240 
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           0.00057585       0.03270117       0.21874204 
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           0.15063292       0.68224505       0.49996459 
           0.99926624       0.15975701       0.88792582 
           0.25252656       0.29221685       0.09296611 
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          2        1        1 
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          0.00000000       0.00000000       0.00000000 
          0.50000000      -0.00000000       0.00000000 
  
  
          0.50000000 
          0.50000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00010000
       38
       10
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       -1
       -1
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        0
        0
        0
        0
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         1
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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      1.00000000      1.00000000
         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
       180
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000004
           0.30000000
          4
           0.40000000
    
   
   
          0.40000000
          1.00000000
          0.10000000
          1.60000000
          1.00000000
    
          4
      F  
        -45
         100.00000000
          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       64
       96
      160
      128
      192
      320
    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
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      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
  
  
        2
        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
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         1.00000000
         1.00000000
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        1
        1
        1
    F  
    F  
    F  
        0
        0
    F  
         0.00000000
         0.00000000
        0
  
  
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
        21.11739726
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
        -1.00000000
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        -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  
  
 
 
       223 
         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
    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                  
      24C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      74H       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 
   
  
  
          0.35282294       0.01342142       0.32925451 
          0.04032294       0.95092142       0.32925451 
          0.91532294       0.82592142       0.24570759 
          0.19657294       0.98217142       0.28748105 
          0.66532294       0.57592142       0.24570759 
          0.97782294       0.63842142       0.24570759 
          0.94657294       0.73217142       0.28748105 
          0.82157294       0.60717142       0.20393413 
          0.72782294       0.38842142       0.24570759 
          0.69657294       0.48217142       0.28748105 
          0.29032294       0.20092142       0.32925451 
          0.16532294       0.07592142       0.24570759 
          0.47782294       0.13842142       0.24570759 
          0.32157294       0.10717142       0.20393413 
          0.85282294       0.01342142       0.24570759 
          0.38407294       0.91967142       0.20393413 
          0.60282294       0.76342142       0.24570759 
          0.00907294       0.54467142       0.28748105 
          0.32157294       0.60717142       0.28748105 
          0.10282294       0.26342142       0.24570759 
          0.07157294       0.35717142       0.28748105 
          0.94657294       0.23217142       0.20393413 
          0.00907294       0.04467142       0.20393413 
          0.88407294       0.91967142       0.28748105 
          0.63407294       0.66967142       0.28748105 
          0.38407294       0.41967142       0.28748105 
          0.25907294       0.29467142       0.20393413 
          0.13407294       0.16967142       0.28748105 
          0.22782294       0.88842142       0.24570759 
          0.10282294       0.76342142       0.32925451 
          0.07157294       0.85717142       0.20393413 
          0.79032294       0.70092142       0.32925451 
          0.85282294       0.51342142       0.32925451 
          0.54032294       0.45092142       0.32925451 
          0.41532294       0.32592142       0.24570759 
          0.60282294       0.26342142       0.32925451 
          0.57157294       0.35717142       0.20393413 
          0.44657294       0.23217142       0.28748105 
          0.54032294       0.95092142       0.24570759 
          0.50907294       0.04467142       0.28748105 
          0.72782294       0.88842142       0.32925451 
          0.69657294       0.98217142       0.20393413 
          0.41532294       0.82592142       0.32925451 
          0.29032294       0.70092142       0.24570759 
          0.25907294       0.79467142       0.28748105 
          0.57157294       0.85717142       0.28748105 
          0.47782294       0.63842142       0.32925451 
          0.44657294       0.73217142       0.20393413 
          0.16532294       0.57592142       0.32925451 
          0.13407294       0.66967142       0.20393413 
          0.04032294       0.45092142       0.24570759 
          0.35282294       0.51342142       0.24570759 
          0.22782294       0.38842142       0.32925451 
          0.19657294       0.48217142       0.20393413 
          0.91532294       0.32592142       0.32925451 
          0.88407294       0.41967142       0.20393413 
          0.79032294       0.20092142       0.24570759 
          0.75907294       0.29467142       0.28748105 
          0.97782294       0.13842142       0.32925451 
          0.66532294       0.07592142       0.32925451 
          0.63407294       0.16967142       0.20393413 
          0.82157294       0.10717142       0.28748105 
          0.75907294       0.79467142       0.20393413 
          0.50907294       0.54467142       0.20393413 
          0.95292424       0.68861155       0.28513332 
          0.92838220       0.04022411       0.13033308 
          0.74311924       0.84404334       0.21427555 
          0.15367941       0.91761007       0.09900921 
          0.68962469       0.57316807       0.99075858 
          0.72112905       0.00468898       0.20067030 
          0.50470280       0.15943998       0.97194059 
          0.34637696       0.20628094       0.40512782 
          0.79747370       0.30388708       0.64855782 
          0.34802448       0.32055905       0.55336810 
          0.90943630       0.86505367       0.41117742 
          0.78234982       0.56421991       0.08705308 
          0.04514631       0.79329614       0.90008624 
          0.26590219       0.42816212       0.87115179 
          0.20379149       0.32721318       0.01379132 
          0.74746420       0.09691416       0.56398717 
          0.49524091       0.49887472       0.37531973 
          0.95984927       0.92509683       0.55441149 
          0.06707867       0.40830926       0.08366316 
          0.12243207       0.46298202       0.56797991 
          0.30863675       0.61276305       0.74881791 
          0.52573969       0.76226629       0.77524234 
          0.03815167       0.90019780       0.52235722 
          0.12209112       0.22560671       0.26813365 
          0.59662245       0.06103240       0.44179963 
          0.44129753       0.87527007       0.72853465 
          0.97904828       0.91280113       0.88550717 
          0.22937800       0.25010772       0.10564487 
          0.92314293       0.12373719       0.26846267 
          0.65904287       0.01388652       0.78304783 
          0.60758813       0.73209935       0.07006147 
          0.37959651       0.67827772       0.24895412 
          0.12038932       0.56074874       0.48001223 
          0.15877620       0.74780558       0.50113405 
          0.60178374       0.34343761       0.33009609 
          0.07431870       0.97213861       0.28332093 
          0.26726596       0.61899833       0.34512335 
          0.40294137       0.08505593       0.28752443 
          0.91175422       0.35479574       0.49832030 
          0.00532862       0.30724143       0.20397242 
          0.85650665       0.98630862       0.17770090 
          0.63653113       0.56468127       0.86633644 
          0.96592363       0.18999690       0.72737487 
          0.52425797       0.48043268       0.03888841 
          0.32325737       0.57730438       0.89940434 
          0.22912469       0.80246948       0.96303572 
          0.57909041       0.30598793       0.24197677 
          0.90945200       0.07608764       0.13513431 
          0.49534497       0.99968105       0.45852635 
          0.40758393       0.73424222       0.03145697 
          0.79469561       0.90278281       0.54224377 
          0.70877427       0.84000229       0.81520230 
          0.11055745       0.97423667       0.99869723 
          0.75775204       0.03801898       0.63467599 
          0.12778188       0.95844059       0.35994841 
          0.59193061       0.80913080       0.28005505 
          0.72143219       0.34274914       0.93710926 
          0.89572461       0.57018762       0.35291240 
          0.85931637       0.51500475       0.91679063 
          0.00057585       0.03270117       0.21874204 
          0.03355026       0.10576193       0.79623432 
          0.44504190       0.29155774       0.83824229 
          0.69422015       0.16038585       0.06805272 
          0.15063292       0.68224505       0.49996459 
          0.99926624       0.15975701       0.88792582 
          0.25252656       0.29221685       0.09296611 
          0.06664412       0.39471517       0.50571942 
          0.33013438       0.40056719       0.04083260 
          0.93886047       0.23552262       0.97843804 
          0.69950487       0.55357502       0.31664166 
          0.51610984       0.10227104       0.78846151 
          0.37109138       0.52964763       0.02331450 
          0.89233052       0.35912052       0.44341019 
          0.79846123       0.97444915       0.71674557 
          0.08178670       0.49508163       0.00646206 
          0.68161547       0.63661530       0.45953638 
          0.53489710       0.72736910       0.06996193 
          0.25548743       0.38226281       0.11874099 
          0.97061118       0.11104232       0.13063385 
          0.75534616       0.18459121       0.64113922 
          0.40118561       0.34625592       0.58524533 
          0.54630639       0.68106918       0.30957974 
          0.17121426       0.89867944       0.43529062 
          0.37266773       0.71093888       0.04477763 
          0.24959452       0.93087118       0.13393276 
          0.40954184       0.32867573       0.54428967 
          0.65822870       0.29180575       0.70732134 
          0.74368091       0.18584679       0.36818547 
          0.24678903       0.22594636       0.33280270 
          0.96500341       0.50985575       0.80056174 
          0.07118153       0.36938200       0.89830539 
          0.84753809       0.16298817       0.89971733 
          0.87053652       0.67974321       0.14765280 
          0.73241765       0.84754330       0.18853852 
          0.35241227       0.58286049       0.31230346 
          0.84807794       0.52047408       0.15715530 
          0.87908129       0.18229927       0.67322599 
          0.62334594       0.27837362       0.59483705 
          0.96821143       0.74929594       0.13673328 
          0.57339794       0.98270477       0.03658754 
          0.43470622       0.36745111       0.14804445 
          0.04874911       0.95915192       0.51352447 
          0.92970441       0.50137586       0.70970347 
          0.95921185       0.72550671       0.76664247 
          0.71804488       0.17071322       0.28386325 
          0.42086221       0.83399638       0.41340001 
          0.93001066       0.91904065       0.72084800 
          0.86195177       0.59026366       0.78571764 
          0.49437115       0.27371904       0.82043780 
          0.57586246       0.82680128       0.45615626 
          0.18204898       0.24871746       0.07441145 
          0.63827872       0.85924940       0.19245390 
          0.45326084       0.00178131       0.58875936 
          0.95989290       0.70427801       0.43476952 
          0.29009673       0.43850996       0.89878530 
          0.04258924       0.56386607       0.65473645 
          0.17226751       0.14326939       0.89636460 
          0.82992528       0.48968342       0.77905654 
          0.52166244       0.89614600       0.25553942 
          0.90256917       0.41264593       0.63711444 
          0.28111837       0.06747230       0.93808789 
          0.67491781       0.70376655       0.58466772 
          0.33316216       0.73717148       0.66493123 
          0.23647152       0.45626331       0.13628221 
          0.94691329       0.34675563       0.70492568 
          0.50798774       0.76785571       0.52113047 
          0.98028158       0.31020423       0.65512666 
          0.97468556       0.49176311       0.82599294 
          0.38693374       0.84163286       0.10866490 
          0.68762876       0.62619307       0.08312042 
          0.25896498       0.88600980       0.55748157 
          0.72100999       0.45197810       0.65406369 
          0.43335725       0.91675088       0.72743477 
          0.91218122       0.85245690       0.45692504 
          0.42510860       0.99289930       0.22159278 
          0.44926189       0.24938995       0.25487975 
          0.39798234       0.67641306       0.11087702 
          0.32194010       0.69041125       0.39049750 
          0.05060693       0.54367645       0.80823688 
          0.44723653       0.28913178       0.36719900 
          0.44378918       0.61366018       0.84429417 
          0.37000959       0.80050739       0.45406338 
          0.41314475       0.40702320       0.88068478 
          0.42968038       0.49613273       0.48650350 
          0.04839357       0.86179535       0.58499562 
          0.55513916       0.91525788       0.72973505 
          0.82680679       0.52632038       0.54056290 
          0.88423029       0.80984320       0.10716033 
          0.37225938       0.26183724       0.25074597 
          0.91352322       0.32199033       0.91563759 
          0.83404238       0.78768065       0.23971693 
          0.88050584       0.25013033       0.31493390 
          0.86907470       0.90066706       0.99394521 
          0.34242423       0.42369965       0.75749875 
          0.99181425       0.89316526       0.48796352 
          0.60685282       0.38720476       0.65782597 
          0.20147232       0.79644598       0.60329432 
          0.51585057       0.40674237       0.38420593 
          0.62108288       0.06682957       0.13087533 
  
  
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