vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2023 09 30 
  08:46:22 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       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
 
 
  
   
    
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       7848.63264950 
    
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           0.32561585       0.98458173       0.40633688 
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           0.65764617       0.51780781       0.66469087 
           0.84032282       0.24711004       0.43639311 
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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
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         0.00010000
       38
       10
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       -1
       -1
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        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  
   
   
        60
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000004
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          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
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        0
         0.50000000
        -3.00000000
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         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
         0.00000000
         0.00000000
         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
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    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
         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 
   
  
  
          0.35351164       0.01438012       0.32813752 
          0.04101164       0.95188012       0.32813752 
          0.91601164       0.82688012       0.24459060 
          0.19726164       0.98313012       0.28636406 
          0.66601164       0.57688012       0.24459060 
          0.97851164       0.63938012       0.24459060 
          0.94726164       0.73313012       0.28636406 
          0.82226164       0.60813012       0.20281714 
          0.72851164       0.38938012       0.24459060 
          0.69726164       0.48313012       0.28636406 
          0.29101164       0.20188012       0.32813752 
          0.16601164       0.07688012       0.24459060 
          0.47851164       0.13938012       0.24459060 
          0.32226164       0.10813012       0.20281714 
          0.85351164       0.01438012       0.24459060 
          0.38476164       0.92063012       0.20281714 
          0.60351164       0.76438012       0.24459060 
          0.00976164       0.54563012       0.28636406 
          0.32226164       0.60813012       0.28636406 
          0.10351164       0.26438012       0.24459060 
          0.07226164       0.35813012       0.28636406 
          0.94726164       0.23313012       0.20281714 
          0.00976164       0.04563012       0.20281714 
          0.88476164       0.92063012       0.28636406 
          0.63476164       0.67063012       0.28636406 
          0.38476164       0.42063012       0.28636406 
          0.25976164       0.29563012       0.20281714 
          0.13476164       0.17063012       0.28636406 
          0.22851164       0.88938012       0.24459060 
          0.10351164       0.76438012       0.32813752 
          0.07226164       0.85813012       0.20281714 
          0.79101164       0.70188012       0.32813752 
          0.85351164       0.51438012       0.32813752 
          0.54101164       0.45188012       0.32813752 
          0.41601164       0.32688012       0.24459060 
          0.60351164       0.26438012       0.32813752 
          0.57226164       0.35813012       0.20281714 
          0.44726164       0.23313012       0.28636406 
          0.54101164       0.95188012       0.24459060 
          0.50976164       0.04563012       0.28636406 
          0.72851164       0.88938012       0.32813752 
          0.69726164       0.98313012       0.20281714 
          0.41601164       0.82688012       0.32813752 
          0.29101164       0.70188012       0.24459060 
          0.25976164       0.79563012       0.28636406 
          0.57226164       0.85813012       0.28636406 
          0.47851164       0.63938012       0.32813752 
          0.44726164       0.73313012       0.20281714 
          0.16601164       0.57688012       0.32813752 
          0.13476164       0.67063012       0.20281714 
          0.04101164       0.45188012       0.24459060 
          0.35351164       0.51438012       0.24459060 
          0.22851164       0.38938012       0.32813752 
          0.19726164       0.48313012       0.20281714 
          0.91601164       0.32688012       0.32813752 
          0.88476164       0.42063012       0.20281714 
          0.79101164       0.20188012       0.24459060 
          0.75976164       0.29563012       0.28636406 
          0.97851164       0.13938012       0.32813752 
          0.66601164       0.07688012       0.32813752 
          0.63476164       0.17063012       0.20281714 
          0.82226164       0.10813012       0.28636406 
          0.75976164       0.79563012       0.20281714 
          0.50976164       0.54563012       0.20281714 
          0.84650021       0.88118758       0.41569764 
          0.89197673       0.01991985       0.43568135 
          0.75560603       0.14099014       0.37400273 
          0.93242146       0.23573441       0.34254974 
          0.97529216       0.13855224       0.38775704 
          0.74381866       0.39165718       0.37383910 
          0.91272007       0.49900115       0.37929496 
          0.94585098       0.36084338       0.38501662 
          0.77941947       0.60067432       0.34661638 
          0.88169935       0.75757321       0.40270576 
          0.99171498       0.64116835       0.39589256 
          0.00554491       0.88809761       0.35795489 
          0.44398502       0.72578928       0.35208661 
          0.67291482       0.80244059       0.37639938 
          0.59108430       0.65556389       0.38021919 
          0.41480396       0.96236516       0.36258515 
          0.57294443       0.06653509       0.37744341 
          0.67209460       0.97169711       0.34706450 
          0.39422630       0.19493663       0.35762017 
          0.54087167       0.32569178       0.36566813 
          0.59410923       0.21356802       0.37733510 
          0.40270297       0.47294247       0.41427849 
          0.53267324       0.54849250       0.33918482 
          0.63892864       0.50553335       0.40385261 
          0.11449815       0.28460469       0.40677382 
          0.23467216       0.42512604       0.38175596 
          0.15010863       0.54217124       0.38123915 
          0.19204281       0.67546297       0.34368939 
          0.35233085       0.61259451       0.39720527 
          0.10132050       0.79078444       0.38330698 
          0.21658145       0.92245935       0.39705429 
          0.32198923       0.79731301       0.37941753 
          0.05853443       0.03260057       0.34896732 
          0.20056373       0.17396131       0.37100378 
          0.29425564       0.05225038       0.36856722 
          0.33849998       0.30045526       0.40010380 
          0.62978349       0.57041011       0.53931472 
          0.87487227       0.19566625       0.38774672 
          0.85537259       0.41855130       0.40394125 
          0.91703514       0.68192098       0.43183145 
          0.85903239       0.94011657       0.45604990 
          0.55795679       0.73918837       0.38968932 
          0.76770795       0.79861329       0.41823028 
          0.55909901       0.97437508       0.38160342 
          0.63638167       0.14216531       0.40408269 
          0.46450872       0.25381190       0.39546254 
          0.61701750       0.40593604       0.38845690 
          0.52997431       0.48927044       0.43938857 
          0.64894886       0.57967964       0.37144359 
          0.32025735       0.38459286       0.41906386 
          0.28382664       0.51971239       0.40184042 
          0.32299026       0.62766473       0.45254006 
          0.30215704       0.69966620       0.38060479 
          0.22515254       0.83701608       0.40945322 
          0.32561585       0.98458173       0.40633688 
          0.16334599       0.08142792       0.37801835 
          0.21825646       0.23774319       0.41446302 
          0.98386416       0.09311130       0.43590822 
          0.01125408       0.32084848       0.42596548 
          0.01985719       0.55956500       0.40543024 
          0.98327835       0.83838982       0.40322839 
          0.65764617       0.51780781       0.66469087 
          0.84032282       0.24711004       0.43639311 
          0.82014317       0.41793117       0.46284903 
          0.99129385       0.71435036       0.48449624 
          0.81231111       0.93281634       0.51318497 
          0.49362463       0.74729712       0.44311174 
          0.72118432       0.77460265       0.47480545 
          0.57325631       0.92843466       0.43367021 
          0.65067874       0.11997311       0.46244039 
          0.48638260       0.22869419       0.45342048 
          0.56234217       0.38835253       0.45003000 
          0.77937520       0.62322614       0.45098681 
          0.31012288       0.37452109       0.47960750 
          0.25235588       0.52451826       0.46483440 
          0.36195675       0.65174108       0.50969513 
          0.21246700       0.68918578       0.43667679 
          0.27481829       0.84101749       0.46826465 
          0.37972713       0.02032572       0.45958810 
          0.13846834       0.05401165       0.43672806 
          0.23167206       0.19753256       0.46915612 
          0.96873349       0.14492940       0.48711895 
          0.03070540       0.34982425       0.48371507 
          0.01082030       0.53862473       0.46460243 
          0.02978841       0.87570525       0.45883586 
          0.74079473       0.51449270       0.67341410 
          0.63046574       0.54149923       0.68421934 
          0.61312111       0.47662554       0.66222770 
          0.69978052       0.59737886       0.54398399 
          0.87829696       0.28124146       0.46086806 
          0.77159348       0.27154484       0.42542778 
          0.80717404       0.20115636       0.45461361 
          0.88711329       0.43113957       0.48422442 
          0.76682150       0.45739258       0.46733036 
          0.77460707       0.36774672       0.47279274 
          0.06720390       0.75127027       0.48392448 
          0.93475958       0.73747092       0.50422829 
          0.00805632       0.66826714       0.50148309 
          0.85835083       0.97702511       0.52992101 
          0.72579861       0.93739085       0.51640251 
          0.82503297       0.88480910       0.52875910 
          0.40564621       0.74761194       0.44241977 
          0.51054423       0.70432603       0.46257188 
          0.52552408       0.79484639       0.45974990 
          0.79747950       0.77640041       0.49202891 
          0.67712571       0.81333636       0.48867455 
          0.67408472       0.72322909       0.48043109 
          0.60966027       0.96814520       0.45569546 
          0.49866065       0.90072748       0.44741136 
          0.62957788       0.89085429       0.42994984 
          0.66661834       0.16345843       0.48405706 
          0.57774436       0.08636163       0.47371878 
          0.71795281       0.08939251       0.46465940 
          0.43620416       0.25170522       0.47550960 
          0.46893445       0.17233452       0.45882883 
          0.57136474       0.24449388       0.46278099 
          0.58522774       0.41382220       0.47977229 
          0.48915430       0.35118842       0.45613636 
          0.62792973       0.35658810       0.44777951 
          0.77511464       0.63026705       0.48435957 
          0.70265623       0.63670972       0.43893037 
          0.77897038       0.56761755       0.44543220 
          0.35757141       0.41943142       0.49510633 
          0.22919785       0.36773846       0.49330489 
          0.34612682       0.32900905       0.48901415 
          0.19424471       0.54671447       0.48398096 
          0.20389555       0.47348050       0.45720312 
          0.31738980       0.51238188       0.48479311 
          0.29334128       0.62949294       0.52923906 
          0.43307891       0.63040613       0.52041728 
          0.37641880       0.70799996       0.51492668 
          0.14728256       0.69762693       0.41502715 
          0.16278061       0.64415458       0.45208703 
          0.22098305       0.73072732       0.45928099 
          0.35426562       0.82418388       0.47233743 
          0.28503195       0.89559411       0.47837858 
          0.22060901       0.81208458       0.49107425 
          0.40417857       0.07704620       0.45935033 
          0.31337195       0.00872021       0.48193309 
          0.44789517       0.99743161       0.47176167 
          0.10453492       0.05490463       0.46780846 
          0.13608959       0.99804351       0.43032819 
          0.22235783       0.07782399       0.44410561 
          0.25254102       0.24133500       0.49037775 
          0.15579534       0.16848538       0.48080170 
          0.29499892       0.16482828       0.47289044 
          0.99880799       0.20078644       0.48936664 
          0.88226106       0.13604870       0.49568763 
          0.01016721       0.11987514       0.51153943 
          0.07975050       0.40090135       0.48912441 
          0.95606275       0.34855115       0.50164246 
          0.07573462       0.31112895       0.49739281 
          0.05983555       0.58061092       0.48195549 
          0.92691008       0.54137600       0.47377862 
          0.03090877       0.48948657       0.47606124 
          0.02799814       0.93270948       0.45850888 
          0.97020648       0.85102909       0.48138791 
          0.10889745       0.87313290       0.47264269 
          0.74348198       0.57604453       0.71263762 
  
  
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