vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 04 07 
  15:01:25 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       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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         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
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       -1
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        0
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         1
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     T  
     T  
   
   
     T  
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     F  
   
   
         0
         2
         1
   
   
         1
     F  
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         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
       200
        -5
         2
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      T  
      F  
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          0.40000000
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          4
      F  
        -45
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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  
  
  
        0
       -1
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        2
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         0.00010000
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        2
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        0
         0.77000000      1.25000000
      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
  
  
        3
        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
         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
        27.59016393
         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
      200
        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  
  
 
 
       244 
         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
    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                   
      36Ru    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 
   
  
  
          0.22354870       0.33498136       0.26373485 
          0.09861803       0.33932744       0.72216992 
          0.01511091       0.33932739       0.72213170 
          0.14001150       0.33500390       0.26374269 
          0.01500304       0.37592315       0.27053637 
          0.14009377       0.29826739       0.71679782 
          0.22360893       0.38010725       0.71444622 
          0.09857023       0.29403051       0.27010010 
          0.22359359       0.29821442       0.71685977 
          0.09854351       0.37592653       0.27045730 
          0.01507923       0.29402125       0.27011711 
          0.14004351       0.38015597       0.71446487 
          0.22344135       0.41464247       0.28972855 
          0.09867031       0.25932178       0.69839799 
          0.01504973       0.41871789       0.69441640 
          0.14009017       0.25531286       0.28945357 
          0.01512662       0.25932405       0.69840531 
          0.13996171       0.41469472       0.28961129 
          0.22362677       0.25529703       0.28943692 
          0.09862198       0.41871669       0.69445836 
          0.01498737       0.44935574       0.32020539 
          0.14015816       0.22466874       0.66796797 
          0.22366563       0.45284054       0.66277316 
          0.09865934       0.22115370       0.32090820 
          0.22364258       0.22464314       0.66798367 
          0.09854226       0.44936136       0.32012656 
          0.01513597       0.22113503       0.32091057 
          0.14009714       0.45290352       0.66301793 
          0.22351507       0.47816614       0.36044870 
          0.09870001       0.19644689       0.62694435 
          0.01501944       0.48098232       0.62186306 
          0.14016283       0.19363714       0.36280497 
          0.01518332       0.19644586       0.62695762 
          0.13997096       0.47809832       0.36036077 
          0.22364106       0.19364340       0.36281778 
          0.09861955       0.48097251       0.62189059 
          0.01514931       0.49930174       0.40859562 
          0.14016834       0.17637948       0.57786461 
          0.22353613       0.50175260       0.57295252 
          0.09871021       0.17456712       0.41266467 
          0.22370661       0.17637823       0.57787738 
          0.09848584       0.49926670       0.40856906 
          0.01517161       0.17456731       0.41266364 
          0.14005543       0.50126492       0.57293723 
          0.22333626       0.51186551       0.46242170 
          0.09869250       0.16564446       0.52357603 
          0.01520140       0.51175232       0.51862107 
          0.14018149       0.16503706       0.46735961 
          0.01520978       0.16564878       0.52357894 
          0.14014468       0.51110129       0.46244131 
          0.22370066       0.16503384       0.46736354 
          0.09846280       0.51171698       0.51861765 
          0.47363113       0.33493450       0.26384517 
          0.34854896       0.33915632       0.72248249 
          0.26506583       0.33924945       0.72228748 
          0.39004885       0.33492632       0.26373851 
          0.26497800       0.37587270       0.27051946 
          0.39008119       0.29809887       0.71713286 
          0.47359979       0.37987745       0.71495794 
          0.34857529       0.29397028       0.27001314 
          0.47361624       0.29803256       0.71723699 
          0.34854322       0.37581754       0.27051836 
          0.26507058       0.29399687       0.27002248 
          0.39001135       0.37996612       0.71473680 
          0.47349013       0.41452808       0.28986126 
          0.34864380       0.25920481       0.69859066 
          0.26508557       0.41854612       0.69425170 
          0.39009234       0.25525669       0.28943004 
          0.26508370       0.25926677       0.69850794 
          0.38998988       0.41450642       0.28984290 
          0.47364648       0.25523572       0.28946297 
          0.34857247       0.41840871       0.69433851 
          0.26482816       0.44920564       0.32037460 
          0.39015233       0.22457922       0.66807519 
          0.47352481       0.45213101       0.66267884 
          0.34865475       0.22113257       0.32092119 
          0.47364663       0.22455044       0.66808258 
          0.34833307       0.44901221       0.32051421 
          0.26511490       0.22114575       0.32091537 
          0.39007607       0.45245528       0.66264049 
          0.47304138       0.47815659       0.35949985 
          0.34867926       0.19641404       0.62699314 
          0.26502462       0.48097827       0.62166784 
          0.39015611       0.19361230       0.36283196 
          0.26515492       0.19643226       0.62698571 
          0.38958895       0.47796336       0.36028316 
          0.47363055       0.19357544       0.36282032 
          0.34863779       0.48070921       0.62154705 
          0.26494015       0.49994983       0.40825084 
          0.39016089       0.17636196       0.57789114 
          0.47334074       0.50046778       0.57312730 
          0.34869742       0.17454588       0.41268697 
          0.47370929       0.17634821       0.57788366 
          0.34810808       0.50030278       0.40773548 
          0.26514798       0.17456225       0.41268063 
          0.39020688       0.50162436       0.57329579 
          0.47367108       0.51229527       0.46159983 
          0.34867778       0.16562280       0.52360069 
          0.26466483       0.51363322       0.51883245 
          0.39017586       0.16498875       0.46737407 
          0.26518834       0.16563592       0.52360260 
          0.38986881       0.51379410       0.46138503 
          0.47370394       0.16496135       0.46736209 
          0.34864197       0.51576373       0.51927096 
          0.72365346       0.33495829       0.26405530 
          0.59861910       0.33904314       0.72276064 
          0.51511509       0.33905201       0.72281337 
          0.64008491       0.33494731       0.26406327 
          0.51507047       0.37578448       0.27072505 
          0.64015223       0.29803496       0.71718354 
          0.72370233       0.37993200       0.71450371 
          0.59859944       0.29395217       0.27019781 
          0.72368881       0.29807876       0.71705232 
          0.59865921       0.37580155       0.27090569 
          0.51513799       0.29394509       0.27012347 
          0.64010995       0.37986935       0.71479029 
          0.72367713       0.41455786       0.29027111 
          0.59867993       0.25912329       0.69867646 
          0.51506536       0.41821328       0.69454439 
          0.64010909       0.25523453       0.28951011 
          0.51511019       0.25913710       0.69869441 
          0.64019068       0.41455263       0.29016805 
          0.72365622       0.25524914       0.28951795 
          0.59863633       0.41819186       0.69442466 
          0.51481665       0.44923223       0.32024005 
          0.64018304       0.22453581       0.66808697 
          0.72358844       0.45234481       0.66229629 
          0.59864658       0.22106243       0.32091307 
          0.72368252       0.22454510       0.66806540 
          0.59887298       0.44933353       0.32036271 
          0.51511504       0.22107750       0.32091981 
          0.64016578       0.45207655       0.66240404 
          0.72389222       0.47837949       0.36043347 
          0.59869909       0.19636525       0.62700571 
          0.51493839       0.47962013       0.62090529 
          0.64015884       0.19353071       0.36279569 
          0.51515985       0.19638152       0.62700877 
          0.64045196       0.47860808       0.35938157 
          0.72364422       0.19354312       0.36279521 
          0.59877404       0.47959522       0.62072193 
          0.51429343       0.50156197       0.40609551 
          0.64017078       0.17631716       0.57789350 
          0.72341253       0.50163051       0.57301383 
          0.59869971       0.17445221       0.41266070 
          0.72373336       0.17632593       0.57788446 
          0.59888292       0.50234519       0.40566257 
          0.51514505       0.17447391       0.41266278 
          0.64027665       0.50056205       0.57284093 
          0.72381810       0.51491589       0.46129800 
          0.59868634       0.16556811       0.52359905 
          0.51502081       0.51386733       0.51939436 
          0.64017486       0.16492739       0.46736200 
          0.51519136       0.16558590       0.52360074 
          0.63952751       0.51403969       0.46126411 
          0.72371157       0.16494452       0.46735357 
          0.59853640       0.51404785       0.51935845 
          0.97358134       0.33500332       0.26383176 
          0.84866056       0.33922821       0.72217746 
          0.76518395       0.33914817       0.72232275 
          0.89006600       0.33497960       0.26389136 
          0.76511284       0.37583848       0.27091344 
          0.89016749       0.29820935       0.71681318 
          0.97364532       0.38014043       0.71437940 
          0.84861526       0.29399809       0.27013446 
          0.97366760       0.29826096       0.71676467 
          0.84862459       0.37587069       0.27081097 
          0.76513228       0.29398673       0.27018862 
          0.89007241       0.38009090       0.71430426 
          0.97354717       0.41467731       0.28977657 
          0.84872280       0.25923716       0.69848984 
          0.76511897       0.41835752       0.69403098 
          0.89010832       0.25527708       0.28945375 
          0.76516277       0.25918511       0.69856806 
          0.89008600       0.41463049       0.29000839 
          0.97364016       0.25529228       0.28945774 
          0.84860077       0.41850073       0.69404478 
          0.76520280       0.44914132       0.32085111 
          0.89019208       0.22461729       0.66799490 
          0.97354315       0.45290176       0.66296852 
          0.84867477       0.22111449       0.32091121 
          0.97367816       0.22465425       0.66796942 
          0.84867905       0.44922175       0.32066194 
          0.76513440       0.22108755       0.32092444 
          0.88996653       0.45283081       0.66262748 
          0.97358037       0.47810441       0.36047256 
          0.84871714       0.19639721       0.62697766 
          0.76492927       0.48063501       0.62116045 
          0.89017340       0.19359813       0.36279428 
          0.76518793       0.19637843       0.62700434 
          0.89002633       0.47817095       0.36066264 
          0.97366095       0.19362232       0.36280047 
          0.84858889       0.48095786       0.62150996 
          0.76542651       0.50072190       0.40791517 
          0.89018358       0.17637245       0.57785719 
          0.97358809       0.50129309       0.57291297 
          0.84871096       0.17450732       0.41264727 
          0.97372794       0.17637831       0.57786037 
          0.84855507       0.50003160       0.40840314 
          0.76515750       0.17446998       0.41265164 
          0.89007837       0.50176081       0.57287203 
          0.97351726       0.51118287       0.46245442 
          0.84870403       0.16562576       0.52356909 
          0.76499263       0.51594954       0.51917695 
          0.89019510       0.16501448       0.46734304 
          0.76521395       0.16559542       0.52358697 
          0.89031903       0.51196229       0.46246393 
          0.97372094       0.16504188       0.46734740 
          0.84894863       0.51366301       0.51877458 
          0.45030229       0.61228013       0.42380174 
          0.36883248       0.63092327       0.52574368 
          0.37266422       0.68703012       0.44025663 
          0.30286840       0.70409728       0.53727860 
          0.38665245       0.67258846       0.62848028 
          0.29823920       0.76447444       0.45466812 
          0.52067691       0.64930815       0.33070498 
          0.60383567       0.61306757       0.42135898 
          0.52974686       0.62752641       0.52120236 
          0.44858611       0.72083102       0.34750402 
          0.52717556       0.68564965       0.43372244 
          0.45234472       0.70323903       0.53406514 
          0.53691917       0.67213248       0.61996631 
          0.37313962       0.79458164       0.35954748 
          0.44724031       0.76313064       0.44837525 
          0.37867022       0.77999096       0.54735647 
          0.46139367       0.74504811       0.63451984 
          0.37331367       0.83587345       0.46232992 
          0.69602484       0.63160105       0.51605727 
          0.59851027       0.72110678       0.34337373 
          0.68271837       0.68749837       0.43066757 
          0.61355874       0.70321671       0.52954728 
          0.68766529       0.67373644       0.62050400 
          0.52351031       0.79441863       0.35689864 
          0.60821271       0.76326281       0.44380900 
          0.53268531       0.78142702       0.54350840 
          0.61246944       0.74542145       0.63030908 
          0.52816228       0.83778144       0.45872733 
          0.45981802       0.85420733       0.55712725 
          0.53780799       0.81885058       0.64550123 
          0.76220812       0.70455122       0.52313483 
          0.67411219       0.79471097       0.35090087 
          0.75784486       0.76538772       0.44065240 
          0.68710424       0.77987401       0.53808460 
          0.68322818       0.83629678       0.45406744 
          0.60654728       0.85453053       0.55256805