vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 04 07 
  18:17:16 
 
 
  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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           0.72566253       0.17304332       0.57747802 
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         0.00000000       0.00000000       0.00000000 
  
  
          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
       -1
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        0
        0
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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  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
       200
        -5
         2
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      T  
      F  
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          0.40000000
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          4
      F  
        -45
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          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       84
      150
      108
      168
      300
      216
    F  
  
  
        0
       -1
        0
        2
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         0.00010000
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        2
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        0
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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 
   
  
  
          0.22552215       0.33204826       0.26282919 
          0.10057990       0.33516059       0.72352196 
          0.01706098       0.33516051       0.72349399 
          0.14198155       0.33206786       0.26283367 
          0.01697582       0.37298778       0.26961875 
          0.14204680       0.29413923       0.71774993 
          0.22557125       0.37597836       0.71607210 
          0.10053898       0.29110916       0.26931312 
          0.22556052       0.29409890       0.71779587 
          0.10051645       0.37299068       0.26956029 
          0.01703174       0.29110255       0.26932742 
          0.14201009       0.37601554       0.71608512 
          0.22544519       0.41165424       0.28902533 
          0.10061436       0.25530600       0.69892175 
          0.01701578       0.41457608       0.69607944 
          0.14203837       0.25243973       0.28883020 
          0.01707036       0.25530796       0.69892847 
          0.14194545       0.41169450       0.28893937 
          0.22557767       0.25242530       0.28881821 
          0.10057916       0.41457522       0.69610908 
          0.01696695       0.44614601       0.31991630 
          0.14209106       0.22085707       0.66807039 
          0.22561111       0.44863896       0.66435055 
          0.10060190       0.21834620       0.32042074 
          0.22559480       0.22083622       0.66808279 
          0.10051921       0.44614989       0.31985986 
          0.01707269       0.21833322       0.32042235 
          0.14204801       0.44868633       0.66452567 
          0.22549915       0.47453140       0.36068733 
          0.10063454       0.19289027       0.62674410 
          0.01699198       0.47654951       0.62310240 
          0.14208913       0.19088047       0.36237103 
          0.01711072       0.19289090       0.62675325 
          0.14195285       0.47448388       0.36062432 
          0.22558826       0.19088182       0.36237892 
          0.10057739       0.47654187       0.62312185 
          0.01708240       0.49510768       0.40929739 
          0.14209687       0.17308559       0.57746296 
          0.22551655       0.49685624       0.57394256 
          0.10063725       0.17178780       0.41220949 
          0.22563868       0.17308220       0.57747219 
          0.10047867       0.49508186       0.40927860 
          0.01709698       0.17178880       0.41220880 
          0.14201600       0.49650819       0.57393137 
          0.22537226       0.50690336       0.46333911 
          0.10062723       0.16260474       0.52309005 
          0.01712057       0.50682320       0.51954221 
          0.14210364       0.16216701       0.46687396 
          0.01712573       0.16260869       0.52309122 
          0.14207843       0.50635593       0.46335271 
          0.22563150       0.16216181       0.46687663 
          0.10046338       0.50679841       0.51953978 
          0.47558320       0.33201082       0.26290995 
          0.35053069       0.33503323       0.72374419 
          0.26702757       0.33510148       0.72360551 
          0.39201127       0.33200726       0.26283143 
          0.26695632       0.37294794       0.26960616 
          0.39204208       0.29401367       0.71798971 
          0.47556743       0.37581017       0.71643491 
          0.35054225       0.29106079       0.26925107 
          0.47557964       0.29396569       0.71806460 
          0.35051646       0.37290768       0.26960629 
          0.26702386       0.29108124       0.26925827 
          0.39199100       0.37587499       0.71627798 
          0.47548193       0.41156721       0.28912510 
          0.35059543       0.25521739       0.69905989 
          0.26703974       0.41444947       0.69595978 
          0.39204341       0.25239389       0.28881235 
          0.26703849       0.25526314       0.69900288 
          0.39196925       0.41155391       0.28910940 
          0.47559473       0.25237758       0.28883730 
          0.35054435       0.41434935       0.69601939 
          0.26685208       0.44603385       0.32004074 
          0.39209141       0.22078697       0.66814923 
          0.47551173       0.44812611       0.66427765 
          0.35059878       0.21832516       0.32042867 
          0.47560048       0.22076535       0.66815481 
          0.35036956       0.44589373       0.32014194 
          0.26705592       0.21833611       0.32042354 
          0.39203635       0.44835909       0.66425055 
          0.47516345       0.47452105       0.36001223 
          0.35062007       0.19286044       0.62678091 
          0.26699504       0.47654131       0.62295989 
          0.39208813       0.19085588       0.36238858 
          0.26708845       0.19287580       0.62677526 
          0.39168375       0.47438299       0.36057132 
          0.47558323       0.19082970       0.36238066 
          0.35059035       0.47634605       0.62287015 
          0.26693131       0.49556876       0.40905192 
          0.39209617       0.17306605       0.57748323 
          0.47537938       0.49593305       0.57406386 
          0.35062871       0.17176642       0.41222442 
          0.47564390       0.17305588       0.57747767 
          0.35020914       0.49581985       0.40868426 
          0.26707862       0.17177921       0.41221885 
          0.39212834       0.49676064       0.57418428 
          0.47561420       0.50721115       0.46275167 
          0.35061719       0.16258435       0.52310711 
          0.26673674       0.50816879       0.51969316 
          0.39210396       0.16212747       0.46688378 
          0.26710933       0.16259518       0.52310830 
          0.39188653       0.50828242       0.46259807 
          0.47563717       0.16210768       0.46687575 
          0.35059264       0.50968988       0.52000611 
          0.72559971       0.33203094       0.26305949 
          0.60057841       0.33495236       0.72394245 
          0.51706314       0.33495736       0.72397952 
          0.64203479       0.33202260       0.26306421 
          0.51702265       0.37288131       0.26975588 
          0.64209124       0.29396890       0.71802449 
          0.72564098       0.37585277       0.71611306 
          0.60055779       0.29104761       0.26938307 
          0.72563199       0.29400183       0.71793317 
          0.60059663       0.37289572       0.26988343 
          0.51707291       0.29104109       0.26933186 
          0.64205880       0.37580656       0.71631651 
          0.72561549       0.41159283       0.28941442 
          0.60061966       0.25515880       0.69912103 
          0.51702456       0.41420822       0.69616553 
          0.64205372       0.25237859       0.28887071 
          0.51705833       0.25516752       0.69913581 
          0.64210943       0.41158753       0.28934090 
          0.72560263       0.25239020       0.28887663 
          0.60058656       0.41419432       0.69608131 
          0.51684337       0.44604882       0.31994762 
          0.64211140       0.22075726       0.66815601 
          0.72555635       0.44828332       0.66400866 
          0.60059197       0.21827418       0.32042273 
          0.72562753       0.22076546       0.66814132 
          0.60075189       0.44612295       0.32003350 
          0.51705676       0.21828427       0.32042737 
          0.64209612       0.44808964       0.66408282 
          0.72577083       0.47468327       0.36067666 
          0.60063378       0.19282463       0.62679047 
          0.51693153       0.47556639       0.62241117 
          0.64208843       0.19079806       0.36236309 
          0.51709358       0.19283569       0.62679282 
          0.64229724       0.47484407       0.35992706 
          0.72559422       0.19080867       0.36236217 
          0.60068259       0.47554999       0.62228100 
          0.51646920       0.49671970       0.40751252 
          0.64210187       0.17303523       0.57748444 
          0.72542933       0.49676671       0.57398522 
          0.60062854       0.17169828       0.41220577 
          0.72566253       0.17304332       0.57747802 
          0.60075922       0.49727876       0.40720284 
          0.51707701       0.17171403       0.41220666 
          0.64217324       0.49600160       0.57385944 
          0.72571909       0.50908216       0.46253559 
          0.60062189       0.16254426       0.52310601 
          0.51699013       0.50833383       0.52009366 
          0.64210111       0.16208392       0.46687517 
          0.51711220       0.16255706       0.52310686 
          0.64163829       0.50845634       0.46251139 
          0.72564384       0.16209685       0.46686945 
          0.60051229       0.50846302       0.52006783 
          0.97554732       0.33206726       0.26290024 
          0.85061133       0.33508945       0.72352712 
          0.76711424       0.33502994       0.72363110 
          0.89202225       0.33205100       0.26294022 
          0.76705493       0.37292422       0.26988806 
          0.89210176       0.29409820       0.71776132 
          0.97559847       0.37600482       0.71602412 
          0.85057330       0.29108563       0.26933868 
          0.97561430       0.29413549       0.71772747 
          0.85057565       0.37295023       0.26981403 
          0.76707113       0.29107459       0.26937825 
          0.89203169       0.37596993       0.71597113 
          0.97552161       0.41168250       0.28905833 
          0.85065443       0.25524539       0.69898723 
          0.76706552       0.41431615       0.69580355 
          0.89205328       0.25241390       0.28883047 
          0.76709933       0.25520560       0.69904533 
          0.89203521       0.41164924       0.28922248 
          0.97558918       0.25242517       0.28883419 
          0.85056448       0.41442072       0.69581313 
          0.76712118       0.44598930       0.32037956 
          0.89211801       0.22082095       0.66808951 
          0.97552342       0.44868633       0.66449217 
          0.85061575       0.21831715       0.32042263 
          0.97562237       0.22084805       0.66807119 
          0.85061764       0.44604888       0.32024336 
          0.76707325       0.21829489       0.32043073 
          0.89195420       0.44863570       0.66424801 
          0.97554687       0.47449062       0.36070225 
          0.85065031       0.19285416       0.62676798 
          0.76692656       0.47629731       0.62259808 
          0.89209921       0.19085219       0.36236309 
          0.76711690       0.19283824       0.62678809 
          0.89199365       0.47453672       0.36083896 
          0.97560467       0.19087132       0.36236815 
          0.85055510       0.47653051       0.62284904 
          0.76728106       0.49612063       0.40881148 
          0.89211118       0.17308098       0.57745746 
          0.97555392       0.49652999       0.57391555 
          0.85064135       0.17174333       0.41219647 
          0.97565642       0.17308665       0.57745954 
          0.85052934       0.49562679       0.40916062 
          0.76708918       0.17171381       0.41219884 
          0.89203288       0.49686365       0.57388572 
          0.97550319       0.50641316       0.46336248 
          0.85063878       0.16259017       0.52308444 
          0.76697249       0.50982234       0.51993891 
          0.89211676       0.16215031       0.46686169 
          0.76713182       0.16256655       0.52309697 
          0.89220439       0.50697001       0.46336893 
          0.97564874       0.16217124       0.46686540 
          0.85081166       0.50818794       0.51965157 
          0.44076105       0.63200278       0.42798221 
          0.35903365       0.65303075       0.52715368 
          0.36213471       0.70700556       0.43957282 
          0.29086408       0.72595451       0.53539827 
          0.37327861       0.69702791       0.62815073 
          0.28755462       0.78448872       0.45002150 
          0.51209855       0.66630685       0.33390491 
          0.59251134       0.63255530       0.42624286 
          0.51855559       0.65002483       0.52408704 
          0.43905113       0.73855442       0.34638379 
          0.51672342       0.70552130       0.43473162 
          0.44041872       0.72557280       0.53346565 
          0.52369056       0.69672726       0.62159310 
          0.36362442       0.81240630       0.35448710 
          0.43677635       0.78330191       0.44518607 
          0.36642178       0.80233729       0.54275656 
          0.44818079       0.76996734       0.63198443 
          0.36222739       0.85614477       0.45549889 
          0.68191270       0.65350757       0.52023539 
          0.58927032       0.73874908       0.34345523 
          0.67205868       0.70733109       0.43272923 
          0.60128716       0.72555025       0.53024297 
          0.67449391       0.69786837       0.62245056 
          0.51412110       0.81228434       0.35310164 
          0.59746230       0.78339858       0.44193926 
          0.52065710       0.80385403       0.54021732 
          0.59922566       0.77022699       0.62897511 
          0.51741888       0.85808441       0.45277019 
          0.44755141       0.87694398       0.54958318 
          0.52437225       0.84383496       0.64031275 
          0.75025196       0.72627098       0.52528699 
          0.66483134       0.81247219       0.34833412 
          0.74713693       0.78514672       0.44002192 
          0.67518895       0.80225933       0.53613746 
          0.67276564       0.85645460       0.44959657 
          0.59443958       0.87718289       0.54632094