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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     F  
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      T  
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       84
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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 
   
  
  
          0.22567164       0.32174947       0.26230029 
          0.10069581       0.32700259       0.72283208 
          0.01716205       0.32698758       0.72289461 
          0.14211673       0.32174027       0.26228588 
          0.01708258       0.36275603       0.26802850 
          0.14215226       0.28600008       0.71700608 
          0.22566969       0.36792007       0.71543151 
          0.10066857       0.28087614       0.26959725 
          0.22569353       0.28601300       0.71697811 
          0.10063406       0.36274709       0.26803549 
          0.01711692       0.28087934       0.26960638 
          0.14212175       0.36788635       0.71546754 
          0.22559841       0.40166810       0.28661836 
          0.10070045       0.24709802       0.69842766 
          0.01711504       0.40635270       0.69543958 
          0.14214136       0.24234418       0.28961228 
          0.01715783       0.24708516       0.69845770 
          0.14205312       0.40165997       0.28661861 
          0.22568257       0.24234907       0.28962148 
          0.10065551       0.40637519       0.69539940 
          0.01704207       0.43632433       0.31703210 
          0.14215609       0.21245131       0.66794179 
          0.22561534       0.44049982       0.66365793 
          0.10068879       0.20833499       0.32139517 
          0.22568782       0.21244839       0.66794114 
          0.10056756       0.43628937       0.31709181 
          0.01713808       0.20833495       0.32140072 
          0.14208739       0.44037451       0.66355212 
          0.22548625       0.46466104       0.35784988 
          0.10069993       0.18408217       0.62714975 
          0.01706557       0.46774254       0.62158627 
          0.14214538       0.18087909       0.36335138 
          0.01715376       0.18408425       0.62716114 
          0.14197640       0.46464974       0.35788184 
          0.22568190       0.18087839       0.36335224 
          0.10059197       0.46779118       0.62158135 
          0.01701490       0.48506336       0.40670688 
          0.14216194       0.16374163       0.57825461 
          0.22555879       0.48733274       0.57210488 
          0.10068360       0.16170536       0.41313274 
          0.22569591       0.16373477       0.57825568 
          0.10049592       0.48508687       0.40670735 
          0.01715227       0.16170836       0.41313835 
          0.14206550       0.48708159       0.57188374 
          0.22550671       0.49640870       0.46086715 
          0.10069417       0.15282074       0.52402850 
          0.01704299       0.49662427       0.51718679 
          0.14215641       0.15212209       0.46781627 
          0.01716583       0.15282713       0.52403895 
          0.14189500       0.49629751       0.46089125 
          0.22569078       0.15211288       0.46781916 
          0.10049941       0.49675923       0.51721544 
          0.47568445       0.32179413       0.26242854 
          0.35065969       0.32699233       0.72283975 
          0.26713117       0.32701670       0.72276786 
          0.39213565       0.32177142       0.26237498 
          0.26712021       0.36275650       0.26806172 
          0.39212162       0.28597877       0.71707964 
          0.47563268       0.36780752       0.71571070 
          0.35069115       0.28089704       0.26965792 
          0.47567095       0.28594031       0.71715974 
          0.35066782       0.36277365       0.26807625 
          0.26714526       0.28088220       0.26962492 
          0.39209893       0.36787658       0.71558728 
          0.47563441       0.40177521       0.28656867 
          0.35067691       0.24708710       0.69843556 
          0.26708173       0.40645090       0.69544339 
          0.39215287       0.24236408       0.28966511 
          0.26713980       0.24710257       0.69840826 
          0.39208534       0.40173625       0.28655625 
          0.47568415       0.24237496       0.28968864 
          0.35066903       0.40642828       0.69552863 
          0.26701156       0.43631658       0.31706465 
          0.39215056       0.21243057       0.66796968 
          0.47561126       0.44021861       0.66383783 
          0.35069417       0.20834197       0.32141653 
          0.47568012       0.21241553       0.66799551 
          0.35058353       0.43639805       0.31693448 
          0.26714797       0.20833696       0.32140675 
          0.39216798       0.44047539       0.66395127 
          0.47550287       0.46505270       0.35731601 
          0.35069339       0.18406900       0.62716028 
          0.26698647       0.46819716       0.62191410 
          0.39215412       0.18087866       0.36336654 
          0.26714828       0.18407470       0.62715779 
          0.39203166       0.46495090       0.35740181 
          0.47568251       0.18088346       0.36337540 
          0.35076032       0.46857052       0.62244043 
          0.26685405       0.48519186       0.40659146 
          0.39217328       0.16372888       0.57826678 
          0.47574302       0.48683572       0.57193037 
          0.35068373       0.16169854       0.41314069 
          0.47569630       0.16372829       0.57827435 
          0.35047833       0.48549762       0.40626867 
          0.26715484       0.16170018       0.41313672 
          0.39203828       0.48701642       0.57189561 
          0.47561300       0.49610122       0.46068543 
          0.35069531       0.15280320       0.52403954 
          0.26703256       0.49769937       0.51741726 
          0.39216510       0.15211357       0.46782714 
          0.26717090       0.15280417       0.52403824 
          0.39189583       0.49615479       0.46072702 
          0.47569340       0.15211213       0.46783588 
          0.35069882       0.49674173       0.51719927 
          0.72564953       0.32178632       0.26244919 
          0.60066464       0.32693392       0.72303794 
          0.51711841       0.32693116       0.72304115 
          0.64211128       0.32180837       0.26248840 
          0.51711604       0.36281107       0.26816503 
          0.64213680       0.28594375       0.71718563 
          0.72568784       0.36782552       0.71568541 
          0.60067213       0.28092789       0.26975770 
          0.72569646       0.28594718       0.71717127 
          0.60065369       0.36281586       0.26822210 
          0.51713542       0.28092376       0.26974090 
          0.64213996       0.36781920       0.71569095 
          0.72561904       0.40174632       0.28666268 
          0.60068300       0.24704623       0.69853028 
          0.51711970       0.40626201       0.69557445 
          0.64213436       0.24237934       0.28970556 
          0.51713391       0.24704620       0.69852527 
          0.64208965       0.40178159       0.28670002 
          0.72566689       0.24237198       0.28969234 
          0.60070453       0.40628686       0.69554649 
          0.51705318       0.43652832       0.31685511 
          0.64215096       0.21242115       0.66800381 
          0.72570589       0.44025497       0.66362618 
          0.60068873       0.20835228       0.32144762 
          0.72569044       0.21242818       0.66800004 
          0.60066422       0.43654980       0.31695796 
          0.51714625       0.20835319       0.32144647 
          0.64221291       0.44024144       0.66368163 
          0.72563070       0.46495439       0.35761869 
          0.60069785       0.18406439       0.62718613 
          0.51718829       0.46766393       0.62183796 
          0.64214475       0.18087977       0.36337891 
          0.51715052       0.18406046       0.62718631 
          0.64215639       0.46510959       0.35744879 
          0.72567933       0.18088126       0.36337423 
          0.60080130       0.46767061       0.62168225 
          0.51694100       0.48574088       0.40609199 
          0.64216871       0.16373521       0.57828177 
          0.72566701       0.48687878       0.57181673 
          0.60068736       0.16170391       0.41315544 
          0.72570012       0.16374454       0.57827656 
          0.60072516       0.48594139       0.40612401 
          0.51715730       0.16170312       0.41315439 
          0.64219475       0.48687961       0.57187492 
          0.72571605       0.49624584       0.46084011 
          0.60070119       0.15281038       0.52405360 
          0.51712043       0.49665386       0.51709473 
          0.64216448       0.15212299       0.46783668 
          0.51717145       0.15280505       0.52405426 
          0.64209502       0.49659017       0.46075475 
          0.72569683       0.15212184       0.46783750 
          0.60071140       0.49687460       0.51723419 
          0.97564028       0.32174970       0.26229801 
          0.85070188       0.32696269       0.72298441 
          0.76715519       0.32695806       0.72300763 
          0.89209424       0.32176518       0.26233761 
          0.76708956       0.36279560       0.26815449 
          0.89216287       0.28596728       0.71713686 
          0.97568184       0.36785192       0.71558772 
          0.85065196       0.28089513       0.26966500 
          0.97570704       0.28597422       0.71710257 
          0.85062603       0.36277452       0.26808951 
          0.76711150       0.28091355       0.26970940 
          0.89214678       0.36784505       0.71563760 
          0.97560120       0.40168858       0.28655990 
          0.85070016       0.24706953       0.69849729 
          0.76715394       0.40631524       0.69553826 
          0.89212969       0.24235648       0.28964224 
          0.76714775       0.24706791       0.69851194 
          0.89206346       0.40171278       0.28657990 
          0.97566322       0.24235177       0.28962289 
          0.85069190       0.40632416       0.69551549 
          0.76708874       0.43642743       0.31701842 
          0.89216491       0.21243934       0.66798174 
          0.97563312       0.44029654       0.66356639 
          0.85068070       0.20834084       0.32141785 
          0.97569368       0.21244394       0.66797565 
          0.85062754       0.43638664       0.31700827 
          0.76713016       0.20834340       0.32143228 
          0.89211410       0.44027669       0.66358566 
          0.97558944       0.46472387       0.35778703 
          0.85069841       0.18408309       0.62717078 
          0.76713042       0.46767615       0.62158017 
          0.89214181       0.18087743       0.36336123 
          0.76715441       0.18407665       0.62718265 
          0.89208900       0.46476646       0.35775944 
          0.97567253       0.18088174       0.36335612 
          0.85063420       0.46768520       0.62159256 
          0.76712938       0.48527924       0.40659849 
          0.89216843       0.16375415       0.57826614 
          0.97555906       0.48690724       0.57182724 
          0.85068686       0.16170727       0.41314197 
          0.97569643       0.16375295       0.57825958 
          0.85061843       0.48513028       0.40665995 
          0.76715110       0.16170305       0.41315349 
          0.89207145       0.48686671       0.57180548 
          0.97555005       0.49595922       0.46094336 
          0.85069688       0.15282999       0.52404304 
          0.76710485       0.49661118       0.51712055 
          0.89216033       0.15213506       0.46782804 
          0.76717065       0.15282567       0.52405012 
          0.89208320       0.49594505       0.46092475 
          0.97569205       0.15213275       0.46782321 
          0.85058595       0.49653885       0.51714717 
          0.45454784       0.79899279       0.40934724 
          0.57641096       0.84213191       0.41477355 
          0.48197450       0.87554018       0.49136923 
          0.44667391       0.83615903       0.59338302 
          0.52978042       0.80705609       0.51598038 
          0.38355064       0.81845514       0.50552334 
          0.31114625       0.82068904       0.39211713 
          0.42938446       0.86587433       0.37693453 
          0.33614066       0.88129575       0.45779664 
  
 
 
  
      42.71   42.71
      54.47   54.44
   
        459.65369735 
     186641.67572585 
    -223671.26910786 
       3254.52216861 
      36689.93074198 
     -36675.73338657 
         -0.07209549 
      -6322.00072388 
      47463.58183468 
       7840.28885469 
       7840.36095018 
       7840.31288652 
   
  
  
      45.11   45.10
      45.12   45.11
   
       -502.59073190 
       -502.62995753 
       -502.60380711 
   
  
  
      39.89   39.88
      39.90   39.90
   
      -2062.59401719 
      -2062.70240389 
      -2062.63014609 
   
  
  
      40.44   40.42
      40.45   40.44
   
      -2129.22472946 
      -2129.11565658 
      -2129.18837183 
   
  
  
      43.26   43.24
      44.68   44.67
   
      -2131.32156138 
      -2131.22082474 
      -2131.28798250 
   
  
  
      40.58   40.58
      50.36   50.36
   
      -2509.54176429 
      -2509.48578233 
      -2509.52310364 
   
  
  
      39.66   39.64
      48.24   48.22
   
      -2547.86242288 
      -2547.78171373 
      -2547.83551983 
   
  
  
      41.24   41.20
      47.68   47.65
   
      -2549.83604182 
      -2549.75332945 
      -2549.80847103 
   
  
  
      41.74   41.72
      49.73   49.71
   
      -2549.41495369 
      -2549.33312311 
      -2549.38767683 
   
  
  
      43.11   43.10
      49.65   49.63
   
      -2549.25192355 
      -2549.17018176 
      -2549.22467629 
   
  
  
      41.90   41.87
      48.94   48.91
   
      -2548.37400779 
      -2548.29454735 
      -2548.34752098 
   
  
  
      41.39   41.36
      48.56   48.53
   
      -2545.26716033 
      -2545.21040014 
      -2545.24824027 
   
  
  
      42.73   42.71
      50.13   50.09
   
      -2538.76092763 
      -2538.65755233 
      -2538.72646920 
   
  
  
      39.99   39.98
      48.39   48.37
   
      -2446.81546898 
      -2446.69162030 
      -2446.77418609 
   
  
  
      40.32   40.28
      48.57   48.52
   
      -2446.64992446 
      -2446.52335637 
      -2446.60773510 
   
  
  
      39.98   39.95
      49.96   49.92
   
      -2428.97689452 
      -2428.95689887 
      -2428.97022930 
   
  
  
      39.02   39.00
      48.39   48.36
   
      -2424.53763718 
      -2424.53311500 
      -2424.53612979 
   
  
  
      40.50   40.50
      47.60   47.61
   
      -2404.79373506 
      -2404.76409049 
      -2404.78385353 
   
  
  
      36.85   36.85
      43.64   43.64
   
      -2382.91030769 
      -2382.96488328 
      -2382.92849955 
   
  
  
      38.17   38.16
      45.34   45.33
   
      -2361.36077659 
      -2361.63401540 
      -2361.45185619