vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 04 22 
  21:06:22 
 
 
  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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          1.00000000 
  
 
 
  
   No title
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   normal
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       -1
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     T  
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     F  
     F  
   
   
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      T  
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       84
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        9
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    F  
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        3
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    T  
  
   T  
   F  
       0
   F  
       0
  
   --
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    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  
  
 
 
       217 
         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
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
     208C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       9Ru    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 
   
  
  
          0.22622017       0.33228411       0.26169580 
          0.10193070       0.33837611       0.71816057 
          0.01854310       0.33818832       0.71885920 
          0.14254390       0.33223421       0.26154785 
          0.01735115       0.37328402       0.26785736 
          0.14330593       0.29735413       0.71285850 
          0.22682674       0.37966644       0.70969492 
          0.10110899       0.29138500       0.26826654 
          0.22681060       0.29750824       0.71255773 
          0.10086781       0.37317950       0.26789000 
          0.01751741       0.29144359       0.26838850 
          0.14324241       0.37931056       0.71007812 
          0.22580811       0.41193818       0.28720682 
          0.10185922       0.25824009       0.69537660 
          0.01821808       0.41752969       0.69112639 
          0.14276426       0.25268125       0.28790720 
          0.01835160       0.25812014       0.69569448 
          0.14224033       0.41184219       0.28716050 
          0.22626636       0.25268540       0.28797500 
          0.10168391       0.41776144       0.69066285 
          0.01719110       0.44681148       0.31695609 
          0.14328054       0.22327003       0.66543277 
          0.22635769       0.45376661       0.66088435 
          0.10132135       0.21859694       0.31949646 
          0.22666161       0.22328841       0.66536306 
          0.10059641       0.44642335       0.31752775 
          0.01771708       0.21862446       0.31952865 
          0.14294730       0.45250049       0.65978022 
          0.22491598       0.47526356       0.35737464 
          0.10171374       0.19465857       0.62500903 
          0.01773286       0.47978385       0.61854153 
          0.14288250       0.19103847       0.36133270 
          0.01815543       0.19467990       0.62508654 
          0.14161491       0.47519685       0.35766058 
          0.22636155       0.19099797       0.36132877 
          0.10111476       0.48031961       0.61849888 
          0.01724220       0.49749596       0.40485336 
          0.14313548       0.17413102       0.57628560 
          0.22595079       0.50394510       0.57233154 
          0.10140755       0.17182038       0.41115903 
          0.22660643       0.17410253       0.57627599 
          0.10018458       0.49769795       0.40488111 
          0.01794762       0.17184079       0.41119416 
          0.14277547       0.50146775       0.57012785 
          0.22544486       0.51376665       0.45802922 
          0.10152744       0.16307209       0.52204861 
          0.01761284       0.51056440       0.51524109 
          0.14295922       0.16228081       0.46584960 
          0.01808380       0.16313314       0.52208988 
          0.14107237       0.51277953       0.45829498 
          0.22651724       0.16223628       0.46584401 
          0.10029965       0.51196704       0.51554856 
          0.47634330       0.33271095       0.26305879 
          0.35148139       0.33832689       0.71824029 
          0.26820916       0.33857057       0.71750010 
          0.39274963       0.33247362       0.26247674 
          0.26768623       0.37320718       0.26808291 
          0.39297664       0.29718006       0.71362273 
          0.47645902       0.37857621       0.71268462 
          0.35133714       0.29153798       0.26887518 
          0.47657199       0.29679045       0.71451013 
          0.35116392       0.37337199       0.26826564 
          0.26782043       0.29140940       0.26853766 
          0.39298984       0.37927986       0.71136486 
          0.47611240       0.41296835       0.28674685 
          0.35159607       0.25819922       0.69541796 
          0.26787763       0.41858507       0.69111957 
          0.39287544       0.25280302       0.28841870 
          0.26819426       0.25833695       0.69510434 
          0.39255230       0.41251149       0.28656038 
          0.47629249       0.25291293       0.28865689 
          0.35180964       0.41836072       0.69205161 
          0.26686522       0.44661712       0.31727612 
          0.39316541       0.22318175       0.66562794 
          0.47637238       0.45096255       0.66280030 
          0.35139676       0.21858163       0.31966299 
          0.47659117       0.22307750       0.66583580 
          0.35068487       0.44738756       0.31596099 
          0.26780630       0.21855994       0.31956618 
          0.39376467       0.45355141       0.66386432 
          0.47500859       0.47909865       0.35204592 
          0.35168350       0.19464973       0.62502175 
          0.26695590       0.48442510       0.62188821 
          0.39291458       0.19094328       0.36142336 
          0.26812781       0.19464695       0.62498257 
          0.39216305       0.47803061       0.35290820 
          0.47636839       0.19093022       0.36146085 
          0.35287260       0.48818545       0.62721251 
          0.26558493       0.49858804       0.40375745 
          0.39315372       0.17414523       0.57631617 
          0.47781802       0.49890540       0.57061305 
          0.35141150       0.17168279       0.41118509 
          0.47662030       0.17418631       0.57635586 
          0.34995089       0.50158363       0.40057278 
          0.26794561       0.17172822       0.41115942 
          0.39254662       0.50075778       0.57030346 
          0.47646790       0.51054786       0.45625312 
          0.35155691       0.16301458       0.52208153 
          0.26746461       0.52126801       0.51757338 
          0.39298579       0.16219686       0.46589665 
          0.26809558       0.16300731       0.52205199 
          0.39110355       0.51112171       0.45670500 
          0.47654138       0.16220446       0.46593768 
          0.35230971       0.51164304       0.51541537 
          0.72601668       0.33273902       0.26330029 
          0.60160520       0.33771611       0.72053033 
          0.51810530       0.33769848       0.72045437 
          0.64248176       0.33286372       0.26369527 
          0.51768876       0.37372233       0.26923729 
          0.64316188       0.29675047       0.71491356 
          0.72703669       0.37868786       0.71251837 
          0.60115413       0.29188458       0.26992104 
          0.72684118       0.29679960       0.71478885 
          0.60108146       0.37384704       0.26981922 
          0.51778178       0.29180102       0.26975415 
          0.64341077       0.37861834       0.71256782 
          0.72600518       0.41279885       0.28763579 
          0.60162698       0.25777937       0.69651404 
          0.51824192       0.41669588       0.69262062 
          0.64272061       0.25300904       0.28884873 
          0.51809990       0.25781110       0.69635492 
          0.64257436       0.41306293       0.28799799 
          0.72611421       0.25296890       0.28871142 
          0.60218844       0.41686426       0.69226552 
          0.51725982       0.44872640       0.31517484 
          0.64319860       0.22307316       0.66605913 
          0.72728734       0.45113347       0.66050467 
          0.60134350       0.21868255       0.31992275 
          0.72667523       0.22311037       0.66600923 
          0.60154159       0.44899201       0.31616368 
          0.51780569       0.21865681       0.31989527 
          0.64423779       0.45104314       0.66107031 
          0.72633219       0.47835020       0.35489824 
          0.60169224       0.19466731       0.62524253 
          0.51903621       0.47899760       0.62115562 
          0.64290879       0.19096702       0.36151616 
          0.51810988       0.19464924       0.62518486 
          0.64338244       0.47983753       0.35324408 
          0.72634783       0.19099234       0.36149210 
          0.60328714       0.47895668       0.61949732 
          0.51647078       0.50404719       0.39874577 
          0.64314029       0.17427412       0.57642543 
          0.72702873       0.49916601       0.56932610 
          0.60143318       0.17168742       0.41127407 
          0.72662130       0.17428996       0.57641392 
          0.60240896       0.50614188       0.39901444 
          0.51797495       0.17166746       0.41125592 
          0.64413511       0.49919146       0.56996987 
          0.72748148       0.51216674       0.45766455 
          0.60156695       0.16313850       0.52218459 
          0.51841286       0.51067659       0.51432855 
          0.64300383       0.16227966       0.46598971 
          0.51811460       0.16309372       0.52214770 
          0.64308735       0.51556833       0.45690216 
          0.72654946       0.16231259       0.46597606 
          0.60243303       0.51288435       0.51568944 
          0.97591127       0.33236510       0.26173798 
          0.85198069       0.33794777       0.71992861 
          0.76849740       0.33786036       0.72022545 
          0.89230313       0.33250436       0.26214205 
          0.76741142       0.37366433       0.26910428 
          0.89344569       0.29694455       0.71434506 
          0.97700098       0.37897185       0.71140798 
          0.85095040       0.29163483       0.26901933 
          0.97699269       0.29706239       0.71392877 
          0.85078915       0.37350884       0.26848824 
          0.76750149       0.29176821       0.26945234 
          0.89351734       0.37884002       0.71196644 
          0.97580990       0.41221072       0.28665104 
          0.85185789       0.25795441       0.69618534 
          0.76862924       0.41709445       0.69215614 
          0.89262546       0.25283666       0.28824411 
          0.76827838       0.25791843       0.69633371 
          0.89236891       0.41243632       0.28684470 
          0.97609180       0.25277547       0.28804681 
          0.85206005       0.41721626       0.69190385 
          0.76764762       0.44790521       0.31674004 
          0.89329731       0.22317964       0.66587020 
          0.97653379       0.45165319       0.65991515 
          0.85128424       0.21867785       0.31971842 
          0.97674898       0.22319330       0.66574864 
          0.85119300       0.44746444       0.31664022 
          0.76771787       0.21868824       0.31982907 
          0.89322270       0.45140276       0.66009426 
          0.97591087       0.47601556       0.35670902 
          0.85171103       0.19471562       0.62518191 
          0.76841093       0.47893707       0.61838898 
          0.89287086       0.19105481       0.36141936 
          0.76813435       0.19472988       0.62523455 
          0.89275501       0.47647395       0.35637041 
          0.97633937       0.19107693       0.36135838 
          0.85158235       0.47906815       0.61852070 
          0.76832998       0.49967339       0.40369057 
          0.89312077       0.17428588       0.57638372 
          0.97588735       0.49963362       0.56951339 
          0.85143047       0.17181183       0.41124337 
          0.97661601       0.17423570       0.57633864 
          0.85138276       0.49818039       0.40433816 
          0.76797023       0.17176523       0.41127865 
          0.89283248       0.49914212       0.56928901 
          0.97583755       0.50941883       0.45877933 
          0.85154466       0.16319433       0.52214737 
          0.76822677       0.51027976       0.51450961 
          0.89297926       0.16236557       0.46593942 
          0.76809964       0.16319737       0.52218482 
          0.89296897       0.50927566       0.45859847 
          0.97652309       0.16236199       0.46589423 
          0.85117602       0.50963386       0.51479899 
          0.48566763       0.57495066       0.42315111 
          0.62135785       0.57811322       0.41880372 
          0.54742937       0.57719612       0.52764635 
          0.38086784       0.55352748       0.66401827 
          0.51163981       0.54880434       0.63208166 
          0.39680553       0.57256553       0.55516850 
          0.20915177       0.57732065       0.42596252 
          0.35283856       0.57429093       0.40997733 
          0.28353874       0.59321154       0.51062864 
  
 
 
  
      25.07   25.13
      27.61   27.67
   
        459.65369735 
     248423.06065308 
    -285434.96944485 
       3261.96859220 
      36689.93074198 
     -36675.73338657 
          0.06000515 
      -6379.33731402 
      47463.58183468 
       7808.21537900 
       7808.15537385 
       7808.19537728 
   
  
  
      28.06   28.09
      28.06   28.09
   
       -532.28216572 
       -532.25292279 
       -532.27241807 
   
  
  
      24.56   24.61
      24.56   24.61
   
      -2058.86911588 
      -2058.98571567 
      -2058.90798247 
   
  
  
      25.17   25.22
      25.18   25.22
   
      -2124.73077806 
      -2124.88323423 
      -2124.78159678 
   
  
  
      26.30   26.37
      26.82   26.90
   
      -2126.99135291 
      -2127.13923460 
      -2127.04064681 
   
  
  
      24.77   24.81
      27.79   27.85
   
      -2277.63433963 
      -2277.31050543 
      -2277.52639490 
   
  
  
      24.35   24.39
      27.36   27.42
   
      -2267.83236348 
      -2267.57276842 
      -2267.74583180 
   
  
  
      29.40   29.44
      32.47   32.52
   
      -2266.29806393 
      -2266.00151893 
      -2266.19921559 
   
  
  
      27.22   27.26
      30.43   30.49
   
      -2263.59076585 
      -2263.32481278 
      -2263.50211483 
   
  
  
      25.67   25.71
      28.78   28.84
   
      -2252.22275301 
      -2251.99355759 
      -2252.14635453 
   
  
  
      24.03   24.06
      27.10   27.18
   
      -2252.22781565 
      -2251.99709409 
      -2252.15090846 
   
  
  
      24.47   24.52
      27.56   27.63
   
      -2255.04641781 
      -2254.83886832 
      -2254.97723465 
   
  
  
      23.01   23.07
      26.01   26.07
   
      -2229.53105148 
      -2229.52233078 
      -2229.52814458 
   
  
  
      24.00   24.04
      27.16   27.22
   
      -2279.86677702 
      -2279.70934167 
      -2279.81429857 
   
  
  
      23.00   23.02
      26.33   26.34
   
      -2200.29257448 
      -2200.38991157 
      -2200.32502017 
   
  
  
      22.85   22.90
      25.98   26.04
   
      -2232.03701575 
      -2232.18726981 
      -2232.08710043 
   
  
  
      23.19   23.22
      26.33   26.39
   
      -2223.23930865 
      -2223.28765004 
      -2223.25542245 
   
  
  
      27.12   27.17
      30.26   30.33
   
      -2237.00860742 
      -2237.08914594 
      -2237.03545359