vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 04 30 
  17:47:55 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
       1
      15
        0.00001000
       -0.02000000
     100
       2
       1
      400.00000000
        0.77000000      1.25000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
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      11220.00000000 
    
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           0.72773739       0.24214739       0.66243975 
           0.60259425       0.46310249       0.30175784 
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          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
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         0.00001000
       38
       11
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       -1
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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
     F  
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     F  
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     F  
   
   
     F  
     F  
   
   
        60
        -5
         2
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      T  
      F  
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           0.30000000
          4
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          0.40000000
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          4
      F  
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          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       84
      150
      108
      168
      300
      216
    F  
  
  
      100
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        2
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         0.00010000
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        1
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        2
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        0
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       -10.00000000
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        1
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    F  
    F  
    F  
    F  
    F  
    F  
    F  
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        1
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        12.01100000    101.07000000
         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
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         1.00000000
         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
        29.01724138
         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
         0.80000001
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
       232 
         2 
  
   ion
   element
   atomtype
   
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    Ru   2
    Ru   2
    Ru   2
    Ru   2
    Ru   2
    Ru   2
    Ru   2
    Ru   2
    Ru   2
    Ru   2
    Ru   2
    Ru   2
    Ru   2
    Ru   2
    Ru   2
    Ru   2
    Ru   2
    Ru   2
    Ru   2
    Ru   2
    Ru   2
    Ru   2
    Ru   2
    Ru   2
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
     208C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      24Ru    101.07000000     14.00000000  PAW_PBE Ru_pv 28Jan2005               
   
  
 
 
  
   
          17.00000000       0.00000000       0.00000000 
           0.00000000      30.00000000       0.00000000 
           0.00000000       0.00000000      22.00000000 
   
     11220.00000000 
   
           0.05882353       0.00000000       0.00000000 
           0.00000000       0.03333333       0.00000000 
           0.00000000       0.00000000       0.04545455 
   
  
  
          0.22634390       0.35020859       0.25607165 
          0.10253476       0.35670021       0.71799690 
          0.01785846       0.35696861       0.71971833 
          0.14153495       0.35075673       0.25659998 
          0.01703618       0.39183491       0.26265074 
          0.14241539       0.31663410       0.71219399 
          0.22601998       0.39818773       0.71180674 
          0.10144198       0.30941160       0.26308508 
          0.22661916       0.31617326       0.71249907 
          0.10238912       0.39159259       0.26393547 
          0.01540011       0.30949974       0.26460313 
          0.14220146       0.39779225       0.71109840 
          0.22560743       0.43013678       0.27715446 
          0.10229420       0.27735760       0.69313715 
          0.01853420       0.43515769       0.69051732 
          0.14120903       0.27040698       0.28312745 
          0.01720514       0.27757576       0.69299755 
          0.14206744       0.43097897       0.27972145 
          0.22628899       0.27073820       0.28212549 
          0.10251981       0.43601543       0.69069411 
          0.01727393       0.46563401       0.30904236 
          0.14245141       0.24273670       0.66189984 
          0.22476045       0.46989434       0.66074159 
          0.10077033       0.23698928       0.31561377 
          0.22739817       0.24165360       0.66184503 
          0.10217088       0.46695238       0.30847632 
          0.01682531       0.23701249       0.31591600 
          0.14077383       0.46986194       0.65810510 
          0.22565225       0.49235705       0.34841950 
          0.10247025       0.21423812       0.62199625 
          0.01858364       0.49720546       0.61577968 
          0.14157508       0.20994679       0.35753330 
          0.01806296       0.21426787       0.62189444 
          0.14313416       0.49546185       0.34853191 
          0.22581672       0.21006224       0.35763623 
          0.10248001       0.49936342       0.61539086 
          0.01890246       0.51408875       0.39970803 
          0.14450427       0.19343230       0.57299836 
          0.22850069       0.52464372       0.57236206 
          0.10143796       0.19085008       0.40690987 
          0.22844731       0.19374018       0.57211988 
          0.10280370       0.51746821       0.39765688 
          0.01795185       0.19087019       0.40647663 
          0.14220525       0.52093454       0.56687583 
          0.22814356       0.51959124       0.45560879 
          0.10321372       0.18224216       0.51866026 
          0.01859983       0.52572306       0.51197202 
          0.14314946       0.18138089       0.46179559 
          0.01851537       0.18208410       0.51871899 
          0.14382991       0.53151331       0.45267739 
          0.22689388       0.18128157       0.46306544 
          0.10200884       0.52930714       0.51164989 
          0.47488676       0.35002000       0.25436876 
          0.35104762       0.35587250       0.71998814 
          0.26677629       0.35765825       0.71925859 
          0.39172344       0.35092127       0.25387535 
          0.26729479       0.39139518       0.26028591 
          0.39358719       0.31578834       0.71408053 
          0.47731302       0.39790909       0.71715433 
          0.35116844       0.30968500       0.26199928 
          0.47707424       0.31565265       0.71422555 
          0.35015844       0.39131543       0.25657327 
          0.26734593       0.30928476       0.26175571 
          0.39274516       0.39607093       0.71593109 
          0.47531546       0.43118394       0.26596338 
          0.35306097       0.27688788       0.69451116 
          0.26684247       0.43539722       0.69116296 
          0.39339335       0.27126036       0.28215132 
          0.26848345       0.27669614       0.69430443 
          0.39139594       0.43116907       0.26914479 
          0.47623313       0.27095423       0.28274582 
          0.35092388       0.43530361       0.69948759 
          0.26610409       0.46598618       0.30513516 
          0.39377882       0.24224680       0.66265862 
          0.47745607       0.47075356       0.67242182 
          0.35142621       0.23761216       0.31426238 
          0.47734409       0.24200465       0.66251708 
          0.34979123       0.46419287       0.30230116 
          0.26718393       0.23699251       0.31517806 
          0.39300296       0.46953059       0.67156156 
          0.47848039       0.48678948       0.34858429 
          0.35199049       0.21442365       0.62108450 
          0.26618374       0.49852217       0.62303840 
          0.39290371       0.20990431       0.35706838 
          0.26891399       0.21380974       0.61983212 
          0.39403345       0.48792658       0.34604425 
          0.47733783       0.21007765       0.35712749 
          0.35347158       0.49706956       0.62480151 
          0.26725122       0.50914020       0.39922355 
          0.39316214       0.19405814       0.57254248 
          0.47589903       0.50851691       0.56936490 
          0.35165165       0.19053434       0.40796740 
          0.47641526       0.19390177       0.57263870 
          0.35268042       0.50768125       0.39757572 
          0.26722322       0.19068982       0.40813771 
          0.39503066       0.50441060       0.56874059 
          0.47753757       0.51209275       0.45812606 
          0.35199999       0.18252563       0.51938935 
          0.27274448       0.52655192       0.51371168 
          0.39279150       0.18108045       0.46338558 
          0.26895730       0.18239292       0.51860430 
          0.39295227       0.51294648       0.45554332 
          0.47632816       0.18120943       0.46278271 
          0.35426725       0.51578890       0.51513843 
          0.72659436       0.35046120       0.25457332 
          0.60144039       0.35623590       0.72309540 
          0.51776032       0.35659630       0.72171448 
          0.64269131       0.35053477       0.25441165 
          0.51783819       0.39114973       0.25422117 
          0.64344227       0.31563961       0.71372611 
          0.72661698       0.39670282       0.71697695 
          0.60052687       0.30963774       0.26387863 
          0.72694246       0.31545905       0.71383504 
          0.60178721       0.39153255       0.25387194 
          0.51704916       0.30977814       0.26315643 
          0.64296796       0.39632297       0.71876873 
          0.72752902       0.43096586       0.27510632 
          0.60231750       0.27730118       0.69434475 
          0.51870809       0.43587623       0.70019116 
          0.64268146       0.27117032       0.28370777 
          0.51859854       0.27668872       0.69445901 
          0.64428009       0.43023033       0.27119993 
          0.72629296       0.27043102       0.28482828 
          0.60159502       0.43465152       0.70057539 
          0.51884664       0.46337773       0.30007868 
          0.64336040       0.24254009       0.66316622 
          0.72621899       0.46771003       0.66606623 
          0.60105855       0.23681356       0.31556345 
          0.72773739       0.24214739       0.66243975 
          0.60259425       0.46310249       0.30175784 
          0.51798542       0.23751778       0.31478682 
          0.64481427       0.46589135       0.66716573 
          0.72631276       0.49105213       0.34730424 
          0.60167111       0.21423251       0.62158441 
          0.51627623       0.49270988       0.62107821 
          0.64248111       0.20997236       0.35735715 
          0.51830266       0.21423299       0.62097653 
          0.64435694       0.48777569       0.34696411 
          0.72642039       0.20966656       0.35780365 
          0.60461446       0.49407350       0.62592437 
          0.51928251       0.49790800       0.40397205 
          0.64311175       0.19375083       0.57316786 
          0.72682046       0.51302719       0.57211065 
          0.60196552       0.19072909       0.40735953 
          0.72713002       0.19346514       0.57278078 
          0.60347433       0.49717499       0.40262534 
          0.51796407       0.19061768       0.40778588 
          0.64218468       0.50894974       0.56940905 
          0.72283812       0.51286082       0.45697586 
          0.60198161       0.18214036       0.51847851 
          0.51846174       0.52235169       0.51418414 
          0.64276246       0.18117118       0.46203991 
          0.51779040       0.18243543       0.51872680 
          0.64431099       0.50859764       0.45644195 
          0.72632492       0.18111306       0.46242229 
          0.60347095       0.51441852       0.51268783 
          0.97747187       0.35074468       0.25779335 
          0.85304860       0.35569862       0.72084242 
          0.76856615       0.35533983       0.72069730 
          0.89245184       0.35044124       0.25662752 
          0.76869080       0.39160209       0.25889187 
          0.89371544       0.31531581       0.71306115 
          0.97861778       0.39713584       0.71192841 
          0.85216177       0.30953331       0.26544516 
          0.97826914       0.31564778       0.71276704 
          0.85208609       0.39200822       0.25832998 
          0.76780784       0.30953120       0.26394170 
          0.89465018       0.39686165       0.71275186 
          0.97675344       0.43136382       0.27850601 
          0.85324997       0.27698484       0.69332053 
          0.76914087       0.43418042       0.69633583 
          0.89209445       0.27140448       0.28486006 
          0.76832869       0.27701100       0.69390607 
          0.89201051       0.43038172       0.27826006 
          0.97622610       0.27050353       0.28482527 
          0.85218349       0.43505406       0.69265748 
          0.76777764       0.46399429       0.30706277 
          0.89275423       0.24278490       0.66239255 
          0.97818844       0.46862877       0.65761863 
          0.85145347       0.23695507       0.31632857 
          0.97761892       0.24281575       0.66235281 
          0.85002000       0.46362100       0.31026848 
          0.76814915       0.23747501       0.31598129 
          0.89472154       0.46864652       0.66002401 
          0.97582341       0.49282023       0.35152073 
          0.85243652       0.21422245       0.62180262 
          0.76787527       0.49722618       0.62387841 
          0.89305455       0.20987007       0.35688963 
          0.76870813       0.21417098       0.62170324 
          0.89086493       0.49298046       0.35021317 
          0.97640731       0.20972911       0.35734793 
          0.85152296       0.49772649       0.62066813 
          0.76199267       0.51759458       0.39643192 
          0.89309421       0.19372362       0.57366061 
          0.97596506       0.51566946       0.56644209 
          0.85122629       0.19042954       0.40693540 
          0.97704768       0.19351963       0.57357565 
          0.84894591       0.51298711       0.39880516 
          0.76727007       0.19046172       0.40752254 
          0.89236789       0.51320500       0.56742532 
          0.97697213       0.52266802       0.45527446 
          0.85142710       0.18207850       0.51908381 
          0.76538626       0.53020223       0.51447519 
          0.89270815       0.18099378       0.46221187 
          0.76749430       0.18227403       0.51879173 
          0.89164369       0.52217364       0.45550448 
          0.97679600       0.18115956       0.46149760 
          0.85212796       0.51966803       0.51300621 
          0.45919422       0.62682474       0.42182040 
          0.56855485       0.64224030       0.48244264 
          0.49463318       0.56795076       0.50971986 
          0.24486211       0.58749346       0.71097564 
          0.53493876       0.61498242       0.61432514 
          0.39071045       0.59503155       0.59698053 
          0.19096314       0.57169705       0.43698126 
          0.30427921       0.62853922       0.43426409 
          0.28050185       0.63785415       0.53739676 
          0.32984407       0.56479678       0.50794985 
          0.23991126       0.56362899       0.61301524 
          0.63503633       0.55834322       0.57666817 
          0.64652078       0.58423123       0.45440314 
          0.15298406       0.60848752       0.52697673 
          0.54146536       0.56083154       0.38655141 
          0.38451187       0.56120539       0.40409021 
          0.64028734       0.60562289       0.34019048 
          0.77498387       0.56283957       0.35648798 
          0.37416653       0.54688712       0.68862113 
          0.75927927       0.57584788       0.52653200 
          0.63747738       0.58790672       0.68825237 
          0.76544548       0.56191132       0.64992513 
          0.53213468       0.51900686       0.65464137 
          0.82992326       0.60647701       0.43753034 
  
 
 
  
   
   
   
        753.30788680 
     354052.47301518 
    -415715.12641403 
       4148.70294490 
      60218.83923355 
     -59983.58560541 
          0.00261215 
      -9759.27419123 
      75565.44728366 
       9280.78676556 
       9280.78415341 
       9280.78589485 
   
  
  
   
   
   
       -558.87433893 
       -558.92921731 
       -558.89263172 
   
  
  
   
   
   
      -2092.24578414 
      -2092.19265970 
      -2092.22807600 
   
  
  
   
   
   
      -2167.25847238 
      -2167.23492925 
      -2167.25062467 
   
  
  
   
   
   
      -2170.44593837 
      -2170.42607832 
      -2170.43931836 
   
  
  
   
   
   
      -2602.42189134 
      -2602.42284643 
      -2602.42220970 
   
  
  
   
   
   
      -2600.63706585 
      -2600.68542090 
      -2600.65318420 
   
  
  
   
   
   
      -2547.67999004 
      -2547.69900500 
      -2547.68632836 
   
  
  
   
   
   
      -2536.47804451 
      -2536.46515665 
      -2536.47374856 
   
  
  
   
   
   
      -2535.09743031 
      -2535.07971825 
      -2535.09152629 
   
  
  
   
   
   
      -2518.44882392 
      -2518.38175777 
      -2518.42646853 
   
  
  
   
   
   
      -3114.77352349 
      -3114.89241046 
      -3114.81315248 
   
  
  
   
   
   
      -3118.75307207 
      -3118.85033539 
      -3118.78549318 
   
  
  
   
   
   
      -3120.42592446 
      -3120.45119990 
      -3120.43434961 
   
  
  
   
   
   
      -3122.04248899 
      -3122.07027928 
      -3122.05175242 
   
  
  
   
   
   
      -3125.86074680 
      -3125.87088675 
      -3125.86412678 
   
  
  
   
   
   
      -3125.54546699 
      -3125.53168016 
      -3125.54087138 
   
  
  
   
   
   
      -3132.46194009 
      -3132.56891368 
      -3132.49759795 
   
  
  
   
   
   
      -3036.89531484 
      -3036.73199485 
      -3036.84087485 
   
  
  
   
   
   
      -3065.48997927 
      -3065.60563362 
      -3065.52853072 
   
  
  
   
   
   
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    ****************  -85501.97813997 **************** 
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        185.78271615      51.89368113      17.24137735 
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