vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 04 22 
  23:27:44 
 
 
  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
    F  
  
  
   normal
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         0.00001000
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     T  
     T  
   
   
     T  
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     F  
   
   
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     F  
     F  
   
   
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      T  
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       84
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        3
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    F  
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    F  
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        3
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    T  
  
   T  
   F  
       0
   F  
       0
  
   --
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    T  
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       -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 
   
  
  
          0.22603732       0.32877256       0.26189730 
          0.10151907       0.33458494       0.71971774 
          0.01808275       0.33445474       0.72020434 
          0.14240151       0.32873623       0.26179386 
          0.01726163       0.36977469       0.26791441 
          0.14292137       0.29356945       0.71424103 
          0.22644106       0.37575098       0.71160711 
          0.10096218       0.28788205       0.26871011 
          0.22643825       0.29367649       0.71403119 
          0.10078989       0.36970203       0.26793850 
          0.01738391       0.28792217       0.26879446 
          0.14286886       0.37550249       0.71187459 
          0.22573821       0.40851482       0.28701066 
          0.10147297       0.25452607       0.69639362 
          0.01785040       0.41380403       0.69256412 
          0.14255663       0.24923556       0.28847556 
          0.01795367       0.25444181       0.69661555 
          0.14217793       0.40844811       0.28697987 
          0.22607176       0.24923995       0.28852383 
          0.10134111       0.41396603       0.69224170 
          0.01714142       0.44331577       0.31698143 
          0.14290572       0.21966379       0.66626911 
          0.22611024       0.44934435       0.66180888 
          0.10111049       0.21517629       0.32012936 
          0.22633701       0.21967507       0.66622242 
          0.10058679       0.44304536       0.31738244 
          0.01752408       0.21519462       0.32015268 
          0.14266067       0.44845850       0.66103752 
          0.22510607       0.47172939       0.35753305 
          0.10137580       0.19113311       0.62572261 
          0.01751043       0.47577008       0.61955644 
          0.14263680       0.18765201       0.36200559 
          0.01782154       0.19114802       0.62577807 
          0.14173540       0.47168115       0.35773433 
          0.22613500       0.18762477       0.36200326 
          0.10094050       0.47614347       0.61952637 
          0.01716643       0.49335176       0.40547120 
          0.14281096       0.17066789       0.57694193 
          0.22582012       0.49840765       0.57225599 
          0.10116623       0.16844871       0.41181693 
          0.22630292       0.17064661       0.57693589 
          0.10028836       0.49349426       0.40548986 
          0.01768250       0.16846331       0.41184222 
          0.14253882       0.49667236       0.57071315 
          0.22546548       0.50798067       0.45897520 
          0.10124969       0.15965497       0.52270857 
          0.01742289       0.50591769       0.51588966 
          0.14269162       0.15889457       0.46650515 
          0.01777781       0.15969780       0.52273957 
          0.14134658       0.50728553       0.45916040 
          0.22624175       0.15886181       0.46650239 
          0.10036623       0.50689777       0.51610418 
          0.47612368       0.32907201       0.26284871 
          0.35120749       0.33454870       0.71977344 
          0.26784983       0.33471928       0.71925602 
          0.39254497       0.32890622       0.26244282 
          0.26749756       0.36972362       0.26807585 
          0.39269164       0.29344630       0.71477503 
          0.47618358       0.37498664       0.71369331 
          0.35112181       0.28799100       0.26913609 
          0.47627164       0.29317374       0.71539333 
          0.35099855       0.36983921       0.26820251 
          0.26759537       0.28790033       0.26890008 
          0.39269287       0.37547877       0.71277233 
          0.47595307       0.40923731       0.28668746 
          0.35128969       0.25449518       0.69642383 
          0.26761233       0.41454035       0.69256084 
          0.39263458       0.24932337       0.28883417 
          0.26784278       0.25459216       0.69620565 
          0.39239665       0.40891974       0.28655900 
          0.47608971       0.24940028       0.28900081 
          0.35142943       0.41438324       0.69321062 
          0.26691400       0.44318361       0.31720563 
          0.39282713       0.21959803       0.66640852 
          0.47611868       0.44738124       0.66314615 
          0.35116256       0.21516841       0.32024751 
          0.47628749       0.21952351       0.66655571 
          0.35065109       0.44372439       0.31628548 
          0.26758685       0.21515228       0.32017970 
          0.39323244       0.44919273       0.66389330 
          0.47517335       0.47441667       0.35380261 
          0.35135347       0.19112282       0.62573459 
          0.26696609       0.47901579       0.62189684 
          0.39266109       0.18758841       0.36207109 
          0.26780130       0.19112287       0.62570764 
          0.39211925       0.47367071       0.35440607 
          0.47613976       0.18758130       0.36209903 
          0.35216851       0.48164714       0.62562182 
          0.26600797       0.49412265       0.40470212 
          0.39282691       0.17067311       0.57696637 
          0.47712635       0.49488217       0.57105216 
          0.35116891       0.16835471       0.41183695 
          0.47631230       0.17070030       0.57699536 
          0.35012670       0.49622163       0.40247141 
          0.26768202       0.16838554       0.41181852 
          0.39237717       0.49617732       0.57083417 
          0.47618293       0.50573232       0.45773056 
          0.35126971       0.15961079       0.52273420 
          0.26732059       0.51341180       0.51752134 
          0.39271222       0.15883576       0.46654014 
          0.26778735       0.15960626       0.52271407 
          0.39136764       0.50613274       0.45804567 
          0.47625872       0.15884035       0.46657042 
          0.35177275       0.50667594       0.51601000 
          0.72589430       0.32908812       0.26301659 
          0.60129168       0.33412205       0.72136620 
          0.51777634       0.33410937       0.72131663 
          0.64235827       0.32917860       0.26329298 
          0.51749785       0.37008525       0.26887987 
          0.64282019       0.29314823       0.71567091 
          0.72658707       0.37506708       0.71357405 
          0.60099346       0.28823235       0.26986659 
          0.72645961       0.29318213       0.71558299 
          0.60093887       0.37016998       0.26928685 
          0.51756632       0.28817526       0.26974973 
          0.64298716       0.37501863       0.71360887 
          0.72587647       0.40911467       0.28731142 
          0.60131232       0.25420165       0.69718612 
          0.51786785       0.41321793       0.69360523 
          0.64252519       0.24946580       0.28913434 
          0.51777790       0.25422280       0.69707837 
          0.64241279       0.40930248       0.28756533 
          0.72596510       0.24943659       0.28903839 
          0.60169381       0.41333846       0.69335918 
          0.51719094       0.44466037       0.31573493 
          0.64284939       0.21952249       0.66670736 
          0.72676019       0.44750730       0.66154518 
          0.60112524       0.21523913       0.32043104 
          0.72634697       0.21954964       0.66667283 
          0.60124913       0.44484461       0.31642844 
          0.51758588       0.21522227       0.32041234 
          0.64356283       0.44744257       0.66194075 
          0.72609836       0.47388493       0.35580506 
          0.60136078       0.19113301       0.62589040 
          0.51842024       0.47521971       0.62138306 
          0.64265411       0.18760460       0.36213708 
          0.51779010       0.19111965       0.62585201 
          0.64297376       0.47492822       0.35464565 
          0.72612500       0.18762198       0.36211947 
          0.60245853       0.47519466       0.62022563 
          0.51662752       0.49794509       0.40119451 
          0.64281643       0.17076115       0.57704421 
          0.72657482       0.49507026       0.57015631 
          0.60118457       0.16835959       0.41190119 
          0.72631424       0.17077482       0.57703480 
          0.60184769       0.49940838       0.40138430 
          0.51770240       0.16834602       0.41188874 
          0.64348832       0.49508751       0.57060489 
          0.72689300       0.50685977       0.45872307 
          0.60127836       0.15969579       0.52280759 
          0.51798205       0.50600235       0.51525061 
          0.64272405       0.15889411       0.46660537 
          0.51780022       0.15966416       0.52278322 
          0.64275657       0.50924228       0.45818635 
          0.72626525       0.15891567       0.46659654 
          0.60185916       0.50754777       0.51620436 
          0.97582094       0.32882663       0.26192466 
          0.85155442       0.33428608       0.72094721 
          0.76805000       0.33422626       0.72115285 
          0.89223350       0.32892463       0.26220724 
          0.76730413       0.37004142       0.26878768 
          0.89301808       0.29328546       0.71527566 
          0.97656127       0.37526521       0.71280122 
          0.85085092       0.28805493       0.26923455 
          0.97656414       0.29336633       0.71498671 
          0.85073478       0.36993073       0.26835533 
          0.76737150       0.28814999       0.26953803 
          0.89306049       0.37517503       0.71319016 
          0.97574033       0.40870334       0.28662066 
          0.85147198       0.25432611       0.69695599 
          0.76813748       0.41350138       0.69328351 
          0.89246021       0.24934326       0.28871015 
          0.76790151       0.25430159       0.69705979 
          0.89226709       0.40886181       0.28675644 
          0.97594894       0.24930091       0.28857217 
          0.85160400       0.41358556       0.69310773 
          0.76746132       0.44407928       0.31683283 
          0.89291985       0.21959954       0.66657405 
          0.97623357       0.44786764       0.66113223 
          0.85108306       0.21523218       0.32028490 
          0.97639721       0.21961018       0.66649098 
          0.85100451       0.44377184       0.31676290 
          0.76752196       0.21523996       0.32036347 
          0.89285316       0.44769407       0.66125806 
          0.97580372       0.47225166       0.35706835 
          0.85137349       0.19117145       0.62584487 
          0.76798409       0.47518343       0.61945271 
          0.89262784       0.18766235       0.36206665 
          0.76780771       0.19117880       0.62588392 
          0.89253301       0.47257145       0.35683342 
          0.97611709       0.18767853       0.36202429 
          0.85126630       0.47527383       0.61954465 
          0.76792978       0.49487534       0.40465988 
          0.89280333       0.17077530       0.57701119 
          0.97577792       0.49539150       0.57028467 
          0.85118260       0.16844364       0.41187624 
          0.97630948       0.17074145       0.57697895 
          0.85112798       0.49383036       0.40511209 
          0.76769719       0.16841117       0.41190360 
          0.89257880       0.49505032       0.57012784 
          0.97574172       0.50493229       0.45950067 
          0.85126207       0.15973955       0.52277926 
          0.76785280       0.50572357       0.51537993 
          0.89270629       0.15895540       0.46656896 
          0.76778997       0.15974014       0.52280659 
          0.89267371       0.50483212       0.45937390 
          0.97624608       0.15895224       0.46653722 
          0.85097933       0.50526886       0.51558172 
          0.47529436       0.64963137       0.41854982 
          0.60637555       0.66611945       0.41746033 
          0.52561108       0.67664414       0.51555398 
          0.40280320       0.64773799       0.64047319 
          0.51768668       0.63488826       0.59338123 
          0.39238724       0.65452874       0.53862011 
          0.24314993       0.65844345       0.41468073 
          0.37835386       0.67148540       0.39896306 
          0.30107271       0.68923961       0.49301797 
  
 
 
  
      41.77   41.81
      54.20   54.21
   
        459.65369735 
     209951.06735168 
    -246990.59807292 
       3252.28243381 
      36689.93074198 
     -36675.73338657 
          0.04228782 
      -6398.65442694 
      47463.58183468 
       7751.57246090 
       7751.53017308 
       7751.55836496 
   
  
  
      44.49   44.49
      44.50   44.50
   
       -512.56271060 
       -512.59357922 
       -512.57300014 
   
  
  
      40.09   40.08
      40.10   40.08
   
      -2051.76329597 
      -2051.93517705 
      -2051.82058966 
   
  
  
      40.24   40.26
      40.25   40.26
   
      -2117.90358584 
      -2117.97680008 
      -2117.92799059 
   
  
  
      43.47   43.46
      45.41   45.40
   
      -2120.00273801 
      -2120.07461232 
      -2120.02669611 
   
  
  
      39.11   39.08
      49.84   49.80
   
      -2352.08512690 
      -2351.73391538 
      -2351.96805639 
   
  
  
      40.28   40.26
      50.21   50.18
   
      -2362.90602690 
      -2362.67187180 
      -2362.82797520 
   
  
  
      43.40   43.39
      51.25   51.24
   
      -2351.26134127 
      -2351.06655711 
      -2351.19641322 
   
  
  
      41.73   41.71
      50.27   50.25
   
      -2283.62914417 
      -2283.48442476 
      -2283.58090437 
   
  
  
      39.85   39.85
      47.22   47.22
   
      -2086.98522106 
      -2086.70783008 
      -2086.89275740 
   
  
  
      39.95   39.91
      46.87   46.83
   
      -2003.13094988 
      -2003.24013625 
      -2003.16734534 
   
  
  
      40.67   40.64
      48.50   48.45
   
      -2059.28046461 
      -2059.23742979 
      -2059.26611967 
   
  
  
      40.61   40.57
      48.70   48.66
   
      -1957.51060411 
      -1957.55275014 
      -1957.52465279 
   
  
  
      40.28   40.25
      49.89   49.85
   
      -1957.39996793 
      -1957.38469349 
      -1957.39487645 
   
  
  
      40.07   40.05
      48.32   48.29
   
      -1956.36843484 
      -1956.32850986 
      -1956.35512651 
   
  
  
      40.47   40.46
      49.15   49.13
   
      -1956.92002446 
      -1956.88746103 
      -1956.90916999 
   
  
  
      38.88   38.87
      48.31   48.29
   
      -1955.98437490 
      -1956.10822749 
      -1956.02565910 
   
  
  
      37.97   37.97
      48.23   48.21
   
      -1955.20137248 
      -1955.10167132 
      -1955.16813876 
   
  
  
      38.80   38.79
      49.19   49.18
   
      -1955.80766528 
      -1955.72245965 
      -1955.77926341 
   
  
  
      38.89   38.86
      48.22   48.19
   
      -1956.14590317 
      -1956.20650633 
      -1956.16610422