vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 04 22 
  23:27:48 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
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       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  
  
   T  
   F  
       0
   F  
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   --
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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 
   
  
  
          0.22615922       0.33111360       0.26176296 
          0.10179349       0.33711239       0.71867963 
          0.01838965       0.33694380       0.71930758 
          0.14249644       0.33106821       0.26162986 
          0.01732131       0.37211425       0.26787638 
          0.14317775       0.29609257       0.71331934 
          0.22669818       0.37836128       0.71033231 
          0.10106005       0.29021735       0.26841440 
          0.22668648       0.29623099       0.71304888 
          0.10084184       0.37202034       0.26790617 
          0.01747291       0.29026978       0.26852382 
          0.14311789       0.37804120       0.71067694 
          0.22578481       0.41079706       0.28714143 
          0.10173047       0.25700208       0.69571561 
          0.01809552       0.41628780       0.69160563 
          0.14269505       0.25153268       0.28809665 
          0.01821896       0.25689403       0.69600150 
          0.14221953       0.41071083       0.28710029 
          0.22620150       0.25153692       0.28815794 
          0.10156964       0.41649630       0.69118913 
          0.01717454       0.44564624       0.31696454 
          0.14315560       0.22206795       0.66571155 
          0.22627521       0.45229252       0.66119252 
          0.10125106       0.21745673       0.31970742 
          0.22655341       0.22208397       0.66564951 
          0.10059320       0.44529735       0.31747931 
          0.01765274       0.21748118       0.31973666 
          0.14285176       0.45115316       0.66019932 
          0.22497935       0.47408551       0.35742744 
          0.10160109       0.19348342       0.62524689 
          0.01765872       0.47844592       0.61887983 
          0.14280060       0.18990965       0.36155700 
          0.01804413       0.19350261       0.62531705 
          0.14165507       0.47402495       0.35768517 
          0.22628604       0.18987357       0.36155360 
          0.10105668       0.47892756       0.61884138 
          0.01721694       0.49611456       0.40505931 
          0.14302731       0.17297665       0.57650437 
          0.22590723       0.50209928       0.57230636 
          0.10132711       0.17069649       0.41137833 
          0.22650526       0.17295056       0.57649596 
          0.10021918       0.49629672       0.40508403 
          0.01785925       0.17071496       0.41141018 
          0.14269659       0.49986929       0.57032295 
          0.22545173       0.51183799       0.45834455 
          0.10143486       0.16193305       0.52226859 
          0.01754953       0.50901549       0.51545728 
          0.14287002       0.16115206       0.46606812 
          0.01798181       0.16198803       0.52230644 
          0.14116377       0.51094820       0.45858346 
          0.22642541       0.16111146       0.46606347 
          0.10032184       0.51027728       0.51573377 
          0.47627010       0.33149797       0.26298876 
          0.35139009       0.33706749       0.71875134 
          0.26808938       0.33728681       0.71808540 
          0.39268141       0.33128448       0.26246544 
          0.26762334       0.37204599       0.26808056 
          0.39288164       0.29593547       0.71400683 
          0.47636721       0.37737969       0.71302085 
          0.35126537       0.29035565       0.26896215 
          0.47647187       0.29558488       0.71480453 
          0.35110880       0.37219440       0.26824460 
          0.26774541       0.29023971       0.26865847 
          0.39289085       0.37801283       0.71183402 
          0.47605929       0.41172467       0.28672705 
          0.35149394       0.25696454       0.69575325 
          0.26778920       0.41723683       0.69160000 
          0.39279515       0.25164314       0.28855719 
          0.26807710       0.25708869       0.69547144 
          0.39250041       0.41131424       0.28655992 
          0.47622490       0.25174205       0.28877153 
          0.35168290       0.41703489       0.69243795 
          0.26688148       0.44547262       0.31725262 
          0.39305265       0.22198718       0.66588813 
          0.47628781       0.44976878       0.66291558 
          0.35131869       0.21744389       0.31985783 
          0.47648994       0.22189284       0.66607577 
          0.35067361       0.44616650       0.31606915 
          0.26773315       0.21742405       0.31977069 
          0.39358726       0.45209851       0.66387398 
          0.47506351       0.47753799       0.35263148 
          0.35157349       0.19347409       0.62525936 
          0.26695930       0.48262199       0.62189109 
          0.39283008       0.18982499       0.36163927 
          0.26801897       0.19347226       0.62522426 
          0.39214845       0.47657731       0.35340749 
          0.47629218       0.18981392       0.36167358 
          0.35263790       0.48600601       0.62668228 
          0.26572595       0.49709957       0.40407234 
          0.39304479       0.17298786       0.57653290 
          0.47758747       0.49756432       0.57075942 
          0.35133064       0.17057343       0.41140237 
          0.47651764       0.17302431       0.57656903 
          0.35000950       0.49979630       0.40120566 
          0.26785775       0.17061399       0.41137912 
          0.39249014       0.49923096       0.57048036 
          0.47637291       0.50894268       0.45674560 
          0.35146118       0.16187998       0.52229909 
          0.26741660       0.51864928       0.51755603 
          0.39289460       0.16107649       0.46611114 
          0.26799283       0.16187363       0.52227268 
          0.39119158       0.50945872       0.45715189 
          0.47644716       0.16108309       0.46614859 
          0.35213072       0.50998734       0.51561358 
          0.72597589       0.33152205       0.26320572 
          0.60150070       0.33651809       0.72080895 
          0.51799565       0.33650211       0.72074179 
          0.64244060       0.33163535       0.26356117 
          0.51762512       0.37250997       0.26911815 
          0.64304798       0.29554972       0.71516601 
          0.72688681       0.37748093       0.71287026 
          0.60110057       0.29066717       0.26990289 
          0.72671399       0.29559378       0.71505356 
          0.60103393       0.37262135       0.26964176 
          0.51770996       0.29059243       0.26975268 
          0.64326957       0.37741844       0.71291484 
          0.72596227       0.41157079       0.28752767 
          0.60152209       0.25658680       0.69673806 
          0.51811723       0.41553656       0.69294882 
          0.64265547       0.25182796       0.28894393 
          0.51799257       0.25661500       0.69659607 
          0.64252050       0.41180945       0.28785377 
          0.72606451       0.25179146       0.28882041 
          0.60202356       0.41568899       0.69263008 
          0.51723686       0.44737106       0.31536153 
          0.64308220       0.22188961       0.66627521 
          0.72711162       0.44992475       0.66085151 
          0.60127075       0.21753475       0.32009218 
          0.72656581       0.22192346       0.66623043 
          0.60144411       0.44760954       0.31625193 
          0.51773242       0.21751197       0.32006763 
          0.64401281       0.44984295       0.66136046 
          0.72625425       0.47686177       0.35520051 
          0.60158175       0.19348921       0.62545849 
          0.51883088       0.47773830       0.62123143 
          0.64282390       0.18984621       0.36172314 
          0.51800329       0.19347271       0.62540725 
          0.64324621       0.47820109       0.35371127 
          0.72627355       0.18986889       0.36170122 
          0.60301094       0.47770267       0.61974009 
          0.51652302       0.50201315       0.39956201 
          0.64303233       0.17310313       0.57663169 
          0.72687743       0.49780076       0.56960283 
          0.60135031       0.17057814       0.41148311 
          0.72651894       0.17311824       0.57662088 
          0.60222187       0.50389738       0.39980440 
          0.51788410       0.17056031       0.41146686 
          0.64391951       0.49782348       0.57018154 
          0.72728532       0.51039775       0.45801739 
          0.60147076       0.16199093       0.52239226 
          0.51826926       0.50911851       0.51463591 
          0.64291057       0.16115115       0.46619493 
          0.51800981       0.16195053       0.52235954 
          0.64297709       0.51345965       0.45733022 
          0.72645472       0.16118028       0.46618288 
          0.60224174       0.51110549       0.51586108 
          0.97588116       0.33118561       0.26180021 
          0.85183860       0.33672721       0.72026814 
          0.76834826       0.33664900       0.72053458 
          0.89227992       0.33131111       0.26216378 
          0.76737566       0.37245670       0.26899875 
          0.89330315       0.29572485       0.71465526 
          0.97685441       0.37773631       0.71187239 
          0.85091724       0.29044153       0.26909107 
          0.97684984       0.29583037       0.71428142 
          0.85077102       0.37231613       0.26844394 
          0.76745816       0.29056213       0.26948091 
          0.89336506       0.37761835       0.71237434 
          0.97578671       0.41104159       0.28664092 
          0.85172925       0.25674498       0.69644222 
          0.76846532       0.41589676       0.69253193 
          0.89257038       0.25167219       0.28839945 
          0.76815276       0.25671282       0.69657574 
          0.89233497       0.41124481       0.28681528 
          0.97604418       0.25161728       0.28822193 
          0.85190803       0.41600603       0.69230514 
          0.76758552       0.44662990       0.31677097 
          0.89317149       0.22198627       0.66610482 
          0.97643371       0.45039134       0.66032084 
          0.85121718       0.21752930       0.31990725 
          0.97663172       0.22199892       0.66599609 
          0.85113017       0.44623357       0.31668111 
          0.76765257       0.21753882       0.32000720 
          0.89309952       0.45016653       0.66048219 
          0.97587515       0.47476093       0.35682880 
          0.85159852       0.19353423       0.62540290 
          0.76826865       0.47768586       0.61874356 
          0.89278985       0.18992399       0.36163512 
          0.76802547       0.19354619       0.62545101 
          0.89268101       0.47517311       0.35652475 
          0.97626527       0.18994413       0.36158035 
          0.85147700       0.47780338       0.61886202 
          0.76819658       0.49807404       0.40401367 
          0.89301496       0.17311568       0.57659288 
          0.97585087       0.49821958       0.56977048 
          0.85134785       0.17068910       0.41145433 
          0.97651384       0.17307095       0.57655208 
          0.85129783       0.49673038       0.40459614 
          0.76787922       0.17064721       0.41148696 
          0.89274792       0.49777819       0.56956862 
          0.97580561       0.50792332       0.45901978 
          0.85145046       0.16204274       0.52235800 
          0.76810212       0.50876103       0.51479972 
          0.89288827       0.16122885       0.46614927 
          0.76799641       0.16204496       0.52239207 
          0.89287055       0.50779448       0.45885695 
          0.97643075       0.16122541       0.46610856 
          0.85111046       0.50817886       0.51505990 
          0.48220987       0.59984423       0.42161735 
          0.61636375       0.60744863       0.41835592 
          0.54015661       0.61034546       0.52361556 
          0.38817963       0.58493098       0.65616991 
          0.51365543       0.57749898       0.61918152 
          0.39533277       0.59988660       0.54965237 
          0.22048449       0.60436158       0.42220192 
          0.36134366       0.60668909       0.40630591 
          0.28938340       0.62522089       0.50475842 
  
 
 
  
      41.11   41.13
      52.16   52.16
   
        459.65369735 
     233147.48228950 
    -270239.33946785 
       3252.02633043 
      36689.93074198 
     -36675.73338657 
          0.02705618 
      -6288.22851823 
      47463.58183468 
       7809.40057747 
       7809.37352128 
       7809.39155874 
   
  
  
      44.46   44.46
      44.47   44.46
   
       -510.91824112 
       -510.93295959 
       -510.92314728 
   
  
  
      40.09   40.10
      40.10   40.11
   
      -2053.69017777 
      -2053.76099034 
      -2053.71378196 
   
  
  
      40.39   40.38
      40.40   40.40
   
      -2120.77991346 
      -2120.85147105 
      -2120.80376599 
   
  
  
      43.00   42.99
      44.64   44.64
   
      -2122.97169860 
      -2123.05123458 
      -2122.99821059 
   
  
  
      40.13   40.12
      51.21   51.19
   
      -2381.45726459 
      -2381.66957808 
      -2381.52803575 
   
  
  
      39.48   39.47
      49.89   49.87
   
      -2403.07520623 
      -2403.03264502 
      -2403.06101916 
   
  
  
      42.97   42.94
      51.77   51.74
   
      -2405.86857400 
      -2405.82617414 
      -2405.85444071 
   
  
  
      43.01   42.99
      52.89   52.86
   
      -2405.75714428 
      -2405.63916130 
      -2405.71781662 
   
  
  
      40.95   40.92
      50.97   50.93
   
      -2405.52099524 
      -2405.40033643 
      -2405.48077564 
   
  
  
      39.92   39.89
      48.34   48.30
   
      -2405.45987640 
      -2405.33885510 
      -2405.41953597 
   
  
  
      37.29   37.29
      45.62   45.60
   
      -2405.39974937 
      -2405.28122416 
      -2405.36024097 
   
  
  
      36.64   36.64
      44.55   44.55
   
      -2405.20139829 
      -2405.08077633 
      -2405.16119097 
   
  
  
      44.71   44.68
      54.50   54.46
   
      -2403.93428654 
      -2403.82821136 
      -2403.89892814 
   
  
  
      47.14   47.11
      56.56   56.52
   
      -2355.79669472 
      -2355.99874598 
      -2355.86404514 
   
  
  
      36.53   36.51
      45.55   45.52
   
      -2354.83284754 
      -2355.03567921 
      -2354.90045809 
   
  
  
      38.75   38.74
      46.85   46.83
   
      -2355.44370915 
      -2355.64901746 
      -2355.51214525 
   
  
  
      43.73   43.72
      52.97   52.96
   
      -2351.53146890 
      -2351.67356620 
      -2351.57883467 
   
  
  
      36.63   36.63
      45.85   45.84
   
      -2349.84680978 
      -2349.92199621 
      -2349.87187192