vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 04 07 
  18:17:17 
 
 
  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 
  
  
          1.00000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
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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  
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     F  
   
   
     F  
     F  
   
   
       200
        -5
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      T  
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      F  
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          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       84
      150
      108
      168
      300
      216
    F  
  
  
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       -1
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        2
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      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 
   
  
  
          0.22256198       0.33644792       0.26418768 
          0.09763709       0.34141087       0.72149389 
          0.01413588       0.34141084       0.72145055 
          0.13902647       0.33647191       0.26419720 
          0.01401665       0.37739084       0.27099519 
          0.13911726       0.30033147       0.71632177 
          0.22262778       0.38217169       0.71363328 
          0.09758586       0.29549119       0.27049359 
          0.22261013       0.30027218       0.71639172 
          0.09755703       0.37739446       0.27090581 
          0.01410298       0.29548059       0.27051195 
          0.13906021       0.38222618       0.71365475 
          0.22243943       0.41613659       0.29008017 
          0.09769828       0.26132967       0.69813610 
          0.01406671       0.42078879       0.69358488 
          0.13911607       0.25674942       0.28976526 
          0.01415475       0.26133210       0.69814373 
          0.13896983       0.41619483       0.28994724 
          0.22265133       0.25673290       0.28974628 
          0.09764338       0.42078743       0.69363300 
          0.01399758       0.45096060       0.32034994 
          0.13919171       0.22657457       0.66791676 
          0.22269290       0.45494133       0.66198447 
          0.09768806       0.22255745       0.32115193 
          0.22266648       0.22654659       0.66793411 
          0.09755379       0.45096710       0.32025991 
          0.01416762       0.22253594       0.32115467 
          0.13912171       0.45501212       0.66226405 
          0.22252304       0.47998351       0.36032939 
          0.09773275       0.19822520       0.62704448 
          0.01403317       0.48319873       0.62124339 
          0.13919968       0.19501548       0.36302194 
          0.01421962       0.19822334       0.62705981 
          0.13898002       0.47990554       0.36022900 
          0.22266746       0.19502419       0.36303721 
          0.09764063       0.48318782       0.62127496 
          0.01418276       0.50139877       0.40824473 
          0.13920407       0.17802643       0.57806544 
          0.22254591       0.50420078       0.57245750 
          0.09774668       0.17595678       0.41289226 
          0.22274057       0.17802625       0.57807998 
          0.09748943       0.50135911       0.40821428 
          0.01420892       0.17595657       0.41289106 
          0.13907514       0.50364329       0.57244017 
          0.22231827       0.51434658       0.46196299 
          0.09772513       0.16716431       0.52381902 
          0.01424181       0.51421688       0.51816049 
          0.13922041       0.16647209       0.46760243 
          0.01425180       0.16716883       0.52382280 
          0.13917781       0.51347397       0.46198561 
          0.22273523       0.16646985       0.46760699 
          0.09746251       0.51417626       0.51815658 
          0.47265510       0.33639635       0.26431279 
          0.34755810       0.34121787       0.72185164 
          0.26408496       0.34132344       0.72162847 
          0.38906765       0.33638585       0.26419206 
          0.26398884       0.37733508       0.27097611 
          0.38910075       0.30014147       0.71670443 
          0.47261597       0.38191109       0.71421945 
          0.34759181       0.29542503       0.27039418 
          0.47263455       0.30006599       0.71682319 
          0.34755659       0.37727247       0.27097439 
          0.26409394       0.29545468       0.27040458 
          0.38902152       0.38201168       0.71396622 
          0.47249423       0.41600852       0.29022934 
          0.34766798       0.26119852       0.69835605 
          0.26410848       0.42059445       0.69339766 
          0.38911680       0.25668809       0.28973889 
          0.26410631       0.26126859       0.69826047 
          0.38900019       0.41598267       0.29020965 
          0.47267236       0.25666478       0.28977581 
          0.34758653       0.42043839       0.69349807 
          0.26381619       0.45079154       0.32054153 
          0.38918279       0.22647535       0.66803816 
          0.47253135       0.45413345       0.66187944 
          0.34768273       0.22253628       0.32116746 
          0.47266971       0.22644299       0.66804646 
          0.34731483       0.45057145       0.32070034 
          0.26414439       0.22255058       0.32116129 
          0.38909594       0.45450338       0.66183546 
          0.47198035       0.47997436       0.35924366 
          0.34770885       0.19819084       0.62709925 
          0.26403940       0.48319675       0.62102181 
          0.38919010       0.19499051       0.36305365 
          0.26418816       0.19821050       0.62709093 
          0.38854155       0.47975354       0.36013908 
          0.47265421       0.19494831       0.36304015 
          0.34766151       0.48289078       0.62088550 
          0.26394457       0.50214036       0.40785030 
          0.38919324       0.17800991       0.57809509 
          0.47232142       0.50273515       0.57265902 
          0.34773177       0.17593561       0.41291825 
          0.47274199       0.17799437       0.57808666 
          0.34705754       0.50254424       0.40726109 
          0.26418266       0.17595377       0.41291153 
          0.38924616       0.50405622       0.57285155 
          0.47269952       0.51483734       0.46102390 
          0.34770807       0.16714203       0.52384748 
          0.26362887       0.51636543       0.51840210 
          0.38921180       0.16641939       0.46761922 
          0.26422785       0.16715628       0.52384975 
          0.38885995       0.51654994       0.46077852 
          0.47273733       0.16638819       0.46760526 
          0.34766664       0.51880065       0.51890339 
          0.72268034       0.33642197       0.26455320 
          0.59763945       0.34108853       0.72216974 
          0.51414106       0.34109934       0.72223029 
          0.63910997       0.33640967       0.26456280 
          0.51409438       0.37723606       0.27120964 
          0.63918273       0.30006798       0.71676306 
          0.72273301       0.38197161       0.71369904 
          0.59762027       0.29540445       0.27060518 
          0.72271722       0.30011722       0.71661190 
          0.59769049       0.37725447       0.27141682 
          0.51417052       0.29539709       0.27051927 
          0.63913553       0.38190075       0.71402718 
          0.72270795       0.41604037       0.29069946 
          0.59771006       0.26110554       0.69845418 
          0.51408576       0.42021581       0.69373381 
          0.63913677       0.25666250       0.28982981 
          0.51413613       0.26112189       0.69847372 
          0.63923131       0.41603519       0.29058163 
          0.72268302       0.25667861       0.28983860 
          0.59766122       0.42019063       0.69359633 
          0.51380328       0.45082393       0.32038627 
          0.63921886       0.22642508       0.66805245 
          0.72260448       0.45437555       0.66144011 
          0.59767388       0.22245656       0.32115824 
          0.72271002       0.22643491       0.66802743 
          0.59793353       0.45093881       0.32052732 
          0.51414418       0.22247411       0.32116603 
          0.63920060       0.45407000       0.66156465 
          0.72295292       0.48022760       0.36031188 
          0.59773175       0.19813556       0.62711333 
          0.51394182       0.48164700       0.62015235 
          0.63919404       0.19489703       0.36301199 
          0.51419299       0.19815444       0.62711675 
          0.63952933       0.48049009       0.35910882 
          0.72266922       0.19491035       0.36301173 
          0.59781976       0.48161784       0.61994240 
          0.51320555       0.50398310       0.40538700 
          0.63920523       0.17795813       0.57809803 
          0.72240413       0.50406240       0.57252814 
          0.59773529       0.17582917       0.41288816 
          0.72276878       0.17796724       0.57808767 
          0.59794477       0.50487841       0.40489243 
          0.51417907       0.17585386       0.41289084 
          0.63932835       0.50284228       0.57233167 
          0.72286760       0.51783275       0.46067921 
          0.59771857       0.16708004       0.52384557 
          0.51403615       0.51663409       0.51904471 
          0.63921173       0.16634913       0.46760542 
          0.51423094       0.16710032       0.52384768 
          0.63847212       0.51683136       0.46064048 
          0.72274544       0.16636835       0.46759563 
          0.59754845       0.51684026       0.51900376 
          0.97259834       0.33647134       0.26429751 
          0.84768518       0.34129759       0.72150263 
          0.76421880       0.34120729       0.72166858 
          0.88908788       0.33644390       0.26436693 
          0.76414179       0.37729562       0.27142614 
          0.88920035       0.30026492       0.71633911 
          0.97266874       0.38220824       0.71355705 
          0.84763623       0.29545433       0.27053235 
          0.97269424       0.30032370       0.71628328 
          0.84764906       0.37733092       0.27130945 
          0.76416285       0.29544280       0.27059381 
          0.88909277       0.38215139       0.71347082 
          0.97255995       0.41617472       0.29013570 
          0.84775698       0.26123305       0.69824115 
          0.76414569       0.42037820       0.69314470 
          0.88913584       0.25670867       0.28976539 
          0.76419450       0.26117487       0.69832943 
          0.88911140       0.41612112       0.29040134 
          0.97266565       0.25672583       0.28976952 
          0.84761892       0.42054073       0.69316060 
          0.76424361       0.45071734       0.32108689 
          0.88922912       0.22651546       0.66794759 
          0.97255302       0.45500948       0.66220669 
          0.84770427       0.22251315       0.32115550 
          0.97270606       0.22655735       0.66791854 
          0.84770976       0.45080819       0.32087122 
          0.76416498       0.22248388       0.32117130 
          0.88897270       0.45492837       0.66181721 
          0.97259712       0.47991131       0.36035772 
          0.84775056       0.19816873       0.62708250 
          0.76393063       0.48280386       0.62044164 
          0.88921049       0.19497110       0.36300987 
          0.76422344       0.19814852       0.62711247 
          0.88904266       0.47998807       0.36057448 
          0.97268909       0.19499782       0.36301663 
          0.84760578       0.48317153       0.62084043 
          0.76449923       0.50302253       0.40746702 
          0.88921979       0.17801819       0.57805706 
          0.97260517       0.50367464       0.57241168 
          0.84774576       0.17588932       0.41287267 
          0.97276370       0.17802413       0.57806079 
          0.84756793       0.50223401       0.40802439 
          0.76419166       0.17584806       0.41287804 
          0.88910112       0.50420939       0.57236519 
          0.97252430       0.51356773       0.46200038 
          0.84773666       0.16714356       0.52381142 
          0.76400271       0.51901315       0.51879596 
          0.88923427       0.16644656       0.46758371 
          0.76425501       0.16710985       0.52383197 
          0.88937634       0.51445844       0.46201144 
          0.97275704       0.16647719       0.46758841 
          0.84801711       0.51640055       0.51833608 
          0.45507291       0.60241880       0.42171150 
          0.37373189       0.61986952       0.52503868 
          0.37792897       0.67704240       0.44059854 
          0.30887057       0.69316866       0.53821877 
          0.39333937       0.66036873       0.62864506 
          0.30358148       0.75446730       0.45699143 
          0.52496609       0.64080880       0.32910501 
          0.60949784       0.60332371       0.41891704 
          0.53534250       0.61627720       0.51976003 
          0.45335359       0.71196932       0.34806413 
          0.53240162       0.67571382       0.43321784 
          0.45830772       0.69207215       0.53436488 
          0.54353347       0.65983510       0.61915291 
          0.37789722       0.78566931       0.36207767 
          0.45247229       0.75304500       0.44996984 
          0.38479445       0.76881779       0.54965643 
          0.46800010       0.73258849       0.63578754 
          0.37885681       0.82573778       0.46574544 
          0.70308091       0.62064780       0.51396821 
          0.60313025       0.71228564       0.34333298 
          0.68804821       0.67758200       0.42963674 
          0.61969453       0.69204993       0.52919943 
          0.69425099       0.66167047       0.61953072 
          0.52820491       0.78548577       0.35879715 
          0.61358792       0.75319492       0.44474386 
          0.53869941       0.77021352       0.54515393 
          0.61909132       0.73301869       0.63097606 
          0.53353398       0.82762995       0.46170590 
          0.46595132       0.84283900       0.56089928 
          0.54452587       0.80635840       0.64809548 
          0.76818620       0.69369134       0.52205875 
          0.67875262       0.78583036       0.35218425 
          0.76319882       0.75550822       0.44096764 
          0.69306189       0.76868135       0.53905818 
          0.68845945       0.82621787       0.45630287 
          0.61260113       0.84320435       0.55569161