vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 04 22 
  23:27:41 
 
 
  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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     T  
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     F  
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      T  
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       84
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        3
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        3
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    T  
  
   T  
   F  
       0
   F  
       0
  
   --
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        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 
   
  
  
          0.22579353       0.32409050       0.26216596 
          0.10097023       0.32953004       0.72179397 
          0.01746895       0.32947664       0.72199785 
          0.14221166       0.32407226       0.26212188 
          0.01714226       0.36509558       0.26799047 
          0.14240863       0.28852320       0.71608440 
          0.22592681       0.37053037       0.71415671 
          0.10076644       0.28321144       0.26930154 
          0.22594177       0.28856750       0.71599581 
          0.10068600       0.36506540       0.26800316 
          0.01720592       0.28322695       0.26933574 
          0.14237079       0.37042506       0.71426989 
          0.22564501       0.40395034       0.28674912 
          0.10095795       0.24957404       0.69774965 
          0.01736016       0.40883648       0.69448109 
          0.14227978       0.24464131       0.28923337 
          0.01742311       0.24953738       0.69784365 
          0.14209472       0.40392268       0.28673903 
          0.22581230       0.24464603       0.28925559 
          0.10088405       0.40890547       0.69434683 
          0.01707519       0.43865481       0.31701521 
          0.14240597       0.21485547       0.66738423 
          0.22578031       0.44344800       0.66304158 
          0.10082936       0.21061542       0.32097324 
          0.22590422       0.21485729       0.66736824 
          0.10057397       0.43854136       0.31718869 
          0.01726674       0.21062151       0.32098471 
          0.14227848       0.44306917       0.66271392 
          0.22535952       0.46701716       0.35774427 
          0.10092522       0.18643248       0.62667404 
          0.01721386       0.47041838       0.62090966 
          0.14230918       0.18313673       0.36290278 
          0.01737635       0.18643884       0.62670012 
          0.14189607       0.46699355       0.35783267 
          0.22583293       0.18312718       0.36290258 
          0.10070815       0.47057527       0.62089636 
          0.01706541       0.48782616       0.40629499 
          0.14237828       0.16605038       0.57781705 
          0.22564590       0.49102438       0.57215525 
          0.10084448       0.16395314       0.41269414 
          0.22589825       0.16603872       0.57781575 
          0.10042674       0.48788933       0.40630152 
          0.01732902       0.16396001       0.41270631 
          0.14222327       0.49027852       0.57149354 
          0.22549296       0.50026602       0.46023650 
          0.10087934       0.15509882       0.52358852 
          0.01716963       0.49972208       0.51675441 
          0.14233482       0.15437958       0.46737923 
          0.01736983       0.15511735       0.52360582 
          0.14171220       0.49996018       0.46031430 
          0.22587444       0.15436252       0.46738024 
          0.10045502       0.50013874       0.51684502 
          0.47583086       0.32422009       0.26256859 
          0.35084229       0.32951112       0.72181765 
          0.26737072       0.32958423       0.72159725 
          0.39227209       0.32414969       0.26239759 
          0.26724599       0.36507887       0.26806643 
          0.39231163       0.28846795       0.71631144 
          0.47581631       0.37020056       0.71503824 
          0.35083471       0.28326170       0.26948397 
          0.47587118       0.28835145       0.71657094 
          0.35077807       0.36512884       0.26811834 
          0.26729530       0.28322158       0.26938330 
          0.39229691       0.37041064       0.71464896 
          0.47574063       0.40426258       0.28660827 
          0.35088117       0.24955646       0.69776498 
          0.26725860       0.40914738       0.69448254 
          0.39231344       0.24468384       0.28938813 
          0.26737413       0.24959910       0.69767406 
          0.39218911       0.40413075       0.28655717 
          0.47581934       0.24471673       0.28945936 
          0.35092250       0.40907993       0.69475596 
          0.26697904       0.43860559       0.31711164 
          0.39237608       0.21481972       0.66744929 
          0.47578040       0.44260615       0.66360727 
          0.35085030       0.21061745       0.32102686 
          0.47588258       0.21478486       0.66751558 
          0.35060605       0.43884016       0.31671815 
          0.26729426       0.21060873       0.32099774 
          0.39252280       0.44338117       0.66393195 
          0.47539303       0.46817402       0.35614488 
          0.35091342       0.18642028       0.62668505 
          0.26697967       0.47180337       0.62190835 
          0.39232311       0.18311524       0.36293473 
          0.26736596       0.18642409       0.62667441 
          0.39206086       0.46785750       0.35640323 
          0.47583492       0.18311607       0.36294994 
          0.35122972       0.47292940       0.62350089 
          0.26657202       0.48816879       0.40596168 
          0.39239115       0.16604363       0.57783331 
          0.47620413       0.48951787       0.57163763 
          0.35084546       0.16391727       0.41270611 
          0.47590164       0.16605229       0.57784802 
          0.35036112       0.48907229       0.40500292 
          0.26733056       0.16392863       0.41269732 
          0.39215124       0.49007005       0.57154180 
          0.47580298       0.49931159       0.45970047 
          0.35088678       0.15507240       0.52360442 
          0.26712857       0.50293684       0.51745195 
          0.39234747       0.15435430       0.46739814 
          0.26737638       0.15507154       0.52359685 
          0.39171977       0.49948077       0.45983324 
          0.47588184       0.15435487       0.46741406 
          0.35105679       0.50005314       0.51680285 
          0.72573112       0.32422025       0.26263832 
          0.60087365       0.32932996       0.72248069 
          0.51733772       0.32932390       0.72246631 
          0.64219361       0.32426511       0.26275659 
          0.51724331       0.36523579       0.26840331 
          0.64236460       0.28834524       0.71668072 
          0.72598758       0.37023938       0.71498163 
          0.60077924       0.28336271       0.26979400 
          0.72595084       0.28835883       0.71664185 
          0.60074875       0.36526724       0.26857702 
          0.51727905       0.28334093       0.26974384 
          0.64242236       0.37021901       0.71499692 
          0.72570485       0.40420244       0.28687893 
          0.60089277       0.24943137       0.69808222 
          0.51736908       0.40858065       0.69491804 
          0.64226464       0.24474150       0.28951515 
          0.51734857       0.24943840       0.69804297 
          0.64219736       0.40428855       0.28698845 
          0.72576629       0.24472685       0.28947436 
          0.60103429       0.40863740       0.69481739 
          0.51709910       0.43923901       0.31648172 
          0.64238377       0.21478827       0.66757166 
          0.72605733       0.44267241       0.66293251 
          0.60083424       0.21064790       0.32110876 
          0.72590928       0.21480200       0.66755763 
          0.60085919       0.43931474       0.31678145 
          0.51729279       0.21064288       0.32110176 
          0.64266288       0.44264181       0.66310134 
          0.72578658       0.46793124       0.35701414 
          0.60091883       0.18642060       0.62675422 
          0.51759894       0.47018252       0.62168633 
          0.64231453       0.18312138       0.36296497 
          0.51736372       0.18641352       0.62674154 
          0.64242885       0.46838247       0.35651441 
          0.72582789       0.18312817       0.36295598 
          0.60135371       0.47017863       0.62119671 
          0.51683651       0.48980895       0.40445950 
          0.64238461       0.16607719       0.57786925 
          0.72596961       0.48960927       0.57126326 
          0.60085310       0.16392247       0.41273736 
          0.72590483       0.16608797       0.57786264 
          0.60109934       0.49043038       0.40454411 
          0.51733900       0.16391742       0.41273251 
          0.64262594       0.48961558       0.57145157 
          0.72610837       0.49978382       0.46013443 
          0.60089358       0.15510552       0.52363826 
          0.51740764       0.49977002       0.51648002 
          0.64235100       0.15438003       0.46742624 
          0.51738104       0.15509142       0.52363058 
          0.64231554       0.50080754       0.45989862 
          0.72588630       0.15438645       0.46742385 
          0.60109398       0.50043232       0.51689091 
          0.97570050       0.32410867       0.26217356 
          0.85098606       0.32940382       0.72230535 
          0.76745346       0.32938080       0.72238937 
          0.89214066       0.32415166       0.26229416 
          0.76716109       0.36521088       0.26836556 
          0.89244794       0.28840667       0.71651646 
          0.97597498       0.37032302       0.71465889 
          0.85071828       0.28328173       0.26952151 
          0.97599274       0.28843826       0.71639728 
          0.85066228       0.36515993       0.26817812 
          0.76719817       0.28332570       0.26965228 
          0.89245135       0.37028838       0.71482178 
          0.97564758       0.40402683       0.28658015 
          0.85095743       0.24948839       0.69798352 
          0.76748179       0.40871062       0.69478667 
          0.89223986       0.24468541       0.28933155 
          0.76739901       0.24947914       0.69802789 
          0.89213134       0.40409579       0.28663875 
          0.97575846       0.24466815       0.28927265 
          0.85099593       0.40874463       0.69471290 
          0.76721293       0.43897805       0.31695655 
          0.89241656       0.21482607       0.66751251 
          0.97583327       0.44282024       0.66275500 
          0.85081482       0.21063796       0.32104020 
          0.97592819       0.21483268       0.66748076 
          0.85075320       0.43884837       0.31692648 
          0.76726076       0.21064225       0.32107601 
          0.89236045       0.44274915       0.66280979 
          0.97566086       0.46723313       0.35754747 
          0.85092344       0.18644588       0.62672881 
          0.76741497       0.47017857       0.62087102 
          0.89230382       0.18313907       0.36292970 
          0.76737218       0.18644404       0.62674974 
          0.89223701       0.46736813       0.35745077 
          0.97582071       0.18314734       0.36291217 
          0.85084490       0.47021474       0.62090992 
          0.76739618       0.48847794       0.40595228 
          0.89238006       0.16609453       0.57784783 
          0.97563201       0.48973532       0.57131305 
          0.85085211       0.16395273       0.41272006 
          0.97590078       0.16608245       0.57783270 
          0.85078828       0.48803031       0.40614400 
          0.76733313       0.16393909       0.41273686 
          0.89224057       0.48959458       0.57124627 
          0.97561394       0.49895025       0.46046247 
          0.85088528       0.15513318       0.52362178 
          0.76735417       0.49964864       0.51654035 
          0.89234231       0.15440851       0.46740835 
          0.76737709       0.15513049       0.52363561 
          0.89228004       0.49890741       0.46040780 
          0.97587673       0.15440591       0.46739455 
          0.85071707       0.49944885       0.51662536 
          0.46146335       0.74920565       0.41241477 
          0.58639916       0.78346109       0.41566914 
          0.49652002       0.80924150       0.49943081 
          0.43205034       0.77335202       0.60907974 
          0.52574918       0.74966681       0.54178066 
          0.38649618       0.76381301       0.51655560 
          0.28848081       0.76660717       0.39963833 
          0.41237426       0.80107802       0.38427738 
          0.32445134       0.81727704       0.46953709 
  
 
 
  
      41.14   41.13
      50.10   50.07
   
        459.65369735 
     187353.21988686 
    -224363.47745241 
       3254.67701805 
      36689.93074198 
     -36675.73338657 
         -0.00381910 
      -6430.23250298 
      47463.58183468 
       7751.61601785 
       7751.61983696 
       7751.61729089 
   
  
  
      43.84   43.82
      43.85   43.82
   
       -517.37546594 
       -517.35165398 
       -517.36752862 
   
  
  
      39.04   39.01
      39.04   39.01
   
      -2057.91563922 
      -2058.09298568 
      -2057.97475471 
   
  
  
      38.71   38.68
      38.73   38.70
   
      -2124.10322110 
      -2124.08784922 
      -2124.09809714 
   
  
  
      41.58   41.55
      42.90   42.87
   
      -2126.21270723 
      -2126.18878512 
      -2126.20473320 
   
  
  
      37.41   37.39
      43.13   43.11
   
      -2443.07781576 
      -2443.04811904 
      -2443.06791685 
   
  
  
      37.52   37.52
      43.49   43.49
   
      -2467.00235737 
      -2466.85510536 
      -2466.95327337 
   
  
  
      40.30   40.27
      48.80   48.77
   
      -2469.54737764 
      -2469.39935057 
      -2469.49803528 
   
  
  
      38.84   38.84
      48.22   48.22
   
      -2469.87142746 
      -2469.64553234 
      -2469.79612909 
   
  
  
      38.70   38.67
      48.97   48.92
   
      -2469.57862992 
      -2469.35618662 
      -2469.50448215 
   
  
  
      41.09   41.08
      52.72   52.69
   
      -2468.77090854 
      -2468.54091271 
      -2468.69424326 
   
  
  
      38.49   38.45
      49.05   48.99
   
      -2469.31697009 
      -2469.09475511 
      -2469.24289843 
   
  
  
      39.61   39.59
      47.58   47.57
   
      -2466.30738016 
      -2466.06769047 
      -2466.22748360 
   
  
  
      38.96   38.94
      46.57   46.54
   
      -2463.50746554 
      -2463.24835072 
      -2463.42109393 
   
  
  
      37.40   37.38
      45.18   45.15
   
      -2462.70793543 
      -2462.41096542 
      -2462.60894543 
   
  
  
      39.68   39.66
      49.35   49.33
   
      -2463.06166560 
      -2462.87139681 
      -2462.99824267 
   
  
  
      35.56   35.53
      43.84   43.80
   
      -2463.78022023 
      -2463.58391459 
      -2463.71478502 
   
  
  
      43.39   43.36
      53.49   53.45
   
      -2459.90944934 
      -2459.73791432 
      -2459.85227100 
   
  
  
      41.00   41.00
      49.86   49.85
   
      -2462.33439044 
      -2462.16558545 
      -2462.27812211 
   
  
  
      37.23   37.25
      45.92   45.93
   
      -2462.07975334 
      -2461.91333676 
      -2462.02428114 
   
  
  
      37.98   37.95
      46.97   47.07
   
      -2455.54905751 
      -2455.45028054 
      -2455.51613185