vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 04 22 
  23:27:40 
 
 
  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  
  
   T  
   F  
       0
   F  
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   --
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       -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  
  
 
 
       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 
   
  
  
          0.22585448       0.32526102       0.26209879 
          0.10110744       0.33079376       0.72127491 
          0.01762240       0.33072116       0.72154947 
          0.14225912       0.32523825       0.26203987 
          0.01717210       0.36626536       0.26797146 
          0.14253681       0.28978476       0.71562355 
          0.22605537       0.37183553       0.71351931 
          0.10081538       0.28437909       0.26915368 
          0.22606589       0.28984475       0.71550465 
          0.10071197       0.36622456       0.26798700 
          0.01725042       0.28440076       0.26920042 
          0.14249531       0.37169442       0.71367107 
          0.22566831       0.40509146       0.28681451 
          0.10108671       0.25081204       0.69741064 
          0.01748272       0.41007836       0.69400185 
          0.14234899       0.24578987       0.28904392 
          0.01755575       0.25076349       0.69753663 
          0.14211552       0.40505404       0.28679924 
          0.22587717       0.24579451       0.28907265 
          0.10099831       0.41017061       0.69382055 
          0.01709175       0.43982005       0.31700676 
          0.14253091       0.21605755       0.66710545 
          0.22586279       0.44492208       0.66273340 
          0.10089964       0.21175564       0.32076227 
          0.22601242       0.21606173       0.66708178 
          0.10057718       0.43966736       0.31723712 
          0.01733108       0.21176478       0.32077670 
          0.14237403       0.44441650       0.66229482 
          0.22529616       0.46819521       0.35769146 
          0.10103787       0.18760764       0.62643618 
          0.01728800       0.47175631       0.62057135 
          0.14239109       0.18426555       0.36267849 
          0.01748765       0.18761613       0.62646960 
          0.14185590       0.46816545       0.35780808 
          0.22590845       0.18425158       0.36267775 
          0.10076623       0.47196732       0.62055386 
          0.01709067       0.48920756       0.40608904 
          0.14248645       0.16720476       0.57759827 
          0.22568945       0.49287019       0.57218043 
          0.10092492       0.16507703       0.41247484 
          0.22599942       0.16719069       0.57759579 
          0.10039214       0.48929056       0.40609860 
          0.01741739       0.16508584       0.41249029 
          0.14230216       0.49187698       0.57129844 
          0.22548609       0.50219468       0.45992118 
          0.10097193       0.15623786       0.52336853 
          0.01723294       0.50127098       0.51653822 
          0.14242402       0.15550833       0.46716071 
          0.01747182       0.15626247       0.52338926 
          0.14162079       0.50179152       0.46002583 
          0.22596626       0.15548735       0.46716078 
          0.10043282       0.50182850       0.51665981 
          0.47590407       0.32543307       0.26263862 
          0.35093359       0.33077051       0.72130660 
          0.26749050       0.33086799       0.72101194 
          0.39234031       0.32533882       0.26240890 
          0.26730888       0.36624006       0.26806879 
          0.39240663       0.28971254       0.71592734 
          0.47590813       0.37139708       0.71470201 
          0.35090648       0.28444402       0.26939700 
          0.47597129       0.28955702       0.71627654 
          0.35083319       0.36630643       0.26813938 
          0.26737032       0.28439127       0.26926250 
          0.39239590       0.37167767       0.71417981 
          0.47579374       0.40550626       0.28662807 
          0.35098330       0.25079114       0.69742969 
          0.26734703       0.41049563       0.69400211 
          0.39239373       0.24584373       0.28924964 
          0.26749129       0.25084736       0.69730695 
          0.39224099       0.40532800       0.28655763 
          0.47588693       0.24588762       0.28934473 
          0.35104923       0.41040576       0.69436962 
          0.26696278       0.43975009       0.31713514 
          0.39248884       0.21601430       0.66718910 
          0.47586497       0.44379992       0.66349199 
          0.35092837       0.21175519       0.32083202 
          0.47598381       0.21596952       0.66727561 
          0.35061731       0.44006122       0.31660998 
          0.26736741       0.21174462       0.32079323 
          0.39270021       0.44483406       0.66392229 
          0.47533811       0.46973469       0.35555931 
          0.35102343       0.18759591       0.62644744 
          0.26697628       0.47360647       0.62190547 
          0.39240760       0.18423353       0.36271882 
          0.26747479       0.18759878       0.62643272 
          0.39207546       0.46931080       0.35590394 
          0.47591113       0.18423238       0.36273722 
          0.35146442       0.47510883       0.62403112 
          0.26643101       0.48965725       0.40564679 
          0.39250009       0.16720100       0.57761657 
          0.47643469       0.49085895       0.57149126 
          0.35092632       0.16502663       0.41248882 
          0.47600430       0.16721430       0.57763485 
          0.35030251       0.49085962       0.40437004 
          0.26741843       0.16504286       0.41247762 
          0.39220772       0.49159687       0.57136489 
          0.47589797       0.50091677       0.45920799 
          0.35098251       0.15620699       0.52338687 
          0.26717657       0.50555558       0.51746930 
          0.39243866       0.15547466       0.46718364 
          0.26747912       0.15620522       0.52337616 
          0.39163173       0.50114376       0.45938635 
          0.47597606       0.15547624       0.46720315 
          0.35123578       0.50170884       0.51660463 
          0.72577191       0.32543722       0.26273289 
          0.60097816       0.33052798       0.72220207 
          0.51744737       0.33052027       0.72217889 
          0.64223478       0.32549348       0.26289069 
          0.51730695       0.36644816       0.26852245 
          0.64247850       0.28954599       0.71642827 
          0.72613745       0.37144630       0.71462973 
          0.60083280       0.28458012       0.26981215 
          0.72607803       0.28956466       0.71637713 
          0.60079628       0.36649292       0.26875447 
          0.51735087       0.28454951       0.26974531 
          0.64256356       0.37141891       0.71464991 
          0.72574776       0.40543050       0.28698705 
          0.60099766       0.25062394       0.69785820 
          0.51749377       0.40973997       0.69458984 
          0.64232977       0.24592257       0.28941995 
          0.51745591       0.25063450       0.69780182 
          0.64225122       0.40554204       0.28713267 
          0.72581599       0.24590429       0.28936537 
          0.60119917       0.40981266       0.69445284 
          0.51712206       0.44059435       0.31629502 
          0.64250018       0.21597182       0.66735558 
          0.72623304       0.44388114       0.66258568 
          0.60090699       0.21179571       0.32093933 
          0.72601870       0.21598891       0.66733643 
          0.60095668       0.44069721       0.31669320 
          0.51736607       0.21178773       0.32092940 
          0.64288787       0.44384200       0.66281119 
          0.72586453       0.46941966       0.35671187 
          0.60102931       0.18759870       0.62653827 
          0.51780426       0.47144182       0.62161051 
          0.64239943       0.18424219       0.36275799 
          0.51747031       0.18759005       0.62651916 
          0.64256507       0.47001890       0.35604722 
          0.72590216       0.18425162       0.36274685 
          0.60162991       0.47143263       0.62095394 
          0.51678426       0.49184298       0.40364325 
          0.64249257       0.16724818       0.57766299 
          0.72612092       0.49097452       0.57098652 
          0.60093597       0.16503175       0.41252832 
          0.72600718       0.16725968       0.57765568 
          0.60128643       0.49267488       0.40375416 
          0.51742985       0.16502457       0.41252157 
          0.64284153       0.49098356       0.57123990 
          0.72630453       0.50155281       0.45978159 
          0.60098978       0.15625309       0.52343059 
          0.51755124       0.50132810       0.51617267 
          0.64244426       0.15550855       0.46722103 
          0.51748583       0.15623461       0.52341874 
          0.64242579       0.50291622       0.45947055 
          0.72598104       0.15551876       0.46721702 
          0.60128528       0.50221118       0.51671928 
          0.97573061       0.32528816       0.26211134 
          0.85112815       0.33062438       0.72196581 
          0.76760260       0.33059216       0.72208024 
          0.89216387       0.32534490       0.26227243 
          0.76719685       0.36641851       0.26847109 
          0.89259048       0.28962637       0.71620626 
          0.97612155       0.37155856       0.71419447 
          0.85075144       0.28447503       0.26944977 
          0.97613559       0.28967027       0.71604464 
          0.85068040       0.36635263       0.26822242 
          0.76724150       0.28453177       0.26962371 
          0.89260363       0.37151004       0.71441388 
          0.97567077       0.40519596       0.28659028 
          0.85108607       0.25069782       0.69772664 
          0.76764571       0.40990831       0.69441088 
          0.89229495       0.24584987       0.28917620 
          0.76752463       0.25068475       0.69778586 
          0.89216528       0.40528729       0.28666817 
          0.97580608       0.24582634       0.28909753 
          0.85114795       0.40995486       0.69431161 
          0.76727503       0.44025336       0.31692562 
          0.89254238       0.21601944       0.66727790 
          0.97593335       0.44408209       0.66234931 
          0.85088188       0.21178651       0.32085137 
          0.97604544       0.21602706       0.66723332 
          0.85081603       0.44007924       0.31688559 
          0.76732606       0.21179168       0.32089788 
          0.89248363       0.44398538       0.66242186 
          0.97569658       0.46848776       0.35742769 
          0.85103595       0.18762727       0.62650782 
          0.76755725       0.47142979       0.62051644 
          0.89238482       0.18426989       0.36271394 
          0.76748106       0.18762773       0.62653328 
          0.89231101       0.46866896       0.35729643 
          0.97589481       0.18428014       0.36269020 
          0.85095025       0.47147952       0.62056860 
          0.76752958       0.49007729       0.40562918 
          0.89248588       0.16726472       0.57763867 
          0.97566849       0.49114937       0.57105596 
          0.85093473       0.16507546       0.41250910 
          0.97600296       0.16724720       0.57761927 
          0.85087321       0.48948032       0.40588602 
          0.76742414       0.16505711       0.41252854 
          0.89232513       0.49095851       0.57096666 
          0.97564588       0.50044576       0.46022202 
          0.85097947       0.15628477       0.52341115 
          0.76747883       0.50116737       0.51625024 
          0.89243331       0.15554523       0.46719850 
          0.76748031       0.15628290       0.52342835 
          0.89237846       0.50038859       0.46014933 
          0.97596906       0.15554249       0.46718022 
          0.85078264       0.50090385       0.51636445 
          0.46492110       0.72431208       0.41394853 
          0.59139326       0.75412568       0.41611694 
          0.50379279       0.77609216       0.50346160 
          0.42473856       0.74194851       0.61692811 
          0.52373355       0.72097217       0.55468081 
          0.38796894       0.73649194       0.52207173 
          0.27714809       0.73956624       0.40339893 
          0.40386916       0.76867986       0.38794880 
          0.31860669       0.78526768       0.47540731 
  
 
 
  
      40.88   40.88
      48.48   48.47
   
        459.65369735 
     190316.35411001 
    -227316.44559773 
       3254.74668387 
      36689.93074198 
     -36675.73338657 
          0.04255561 
      -6397.29557571 
      47463.58183468 
       7794.83506350 
       7794.79250789 
       7794.82087829 
   
  
  
      43.63   43.64
      43.64   43.65
   
       -512.47562121 
       -512.48388161 
       -512.47837467 
   
  
  
      38.79   38.81
      38.80   38.82
   
      -2054.11692585 
      -2054.24868093 
      -2054.16084421 
   
  
  
      38.43   38.42
      38.44   38.43
   
      -2120.58670922 
      -2120.58777051 
      -2120.58706299 
   
  
  
      41.28   41.27
      42.24   42.23
   
      -2122.71586328 
      -2122.70039204 
      -2122.71070620 
   
  
  
      36.32   36.33
      42.54   42.55
   
      -2406.15409516 
      -2406.11297548 
      -2406.14038860 
   
  
  
      39.17   39.15
      45.82   45.81
   
      -2428.95896870 
      -2428.99649593 
      -2428.97147778 
   
  
  
      43.40   43.37
      52.84   52.79
   
      -2429.12383435 
      -2429.08096034 
      -2429.10954301 
   
  
  
      41.35   41.35
      50.89   50.88
   
      -2430.20773626 
      -2430.05789385 
      -2430.15778879 
   
  
  
      38.63   38.63
      48.55   48.53
   
      -2429.93608547 
      -2429.79818687 
      -2429.89011927 
   
  
  
      41.20   41.21
      52.35   52.34
   
      -2429.68878992 
      -2429.54859613 
      -2429.64205865 
   
  
  
      40.78   40.74
      52.05   52.00
   
      -2429.64879918 
      -2429.50843400 
      -2429.60201079 
   
  
  
      38.76   38.74
      49.05   49.02
   
      -2429.42445916 
      -2429.28368779 
      -2429.37753537 
   
  
  
      39.85   39.81
      48.45   48.39
   
      -2425.44142034 
      -2425.28664600 
      -2425.38982889 
   
  
  
      40.80   40.80
      48.14   48.14
   
      -2431.30509270 
      -2431.17453491 
      -2431.26157344 
   
  
  
      41.27   41.26
      49.50   49.49
   
      -2424.35981524 
      -2424.21271385 
      -2424.31078145 
   
  
  
      38.67   38.65
      47.19   47.17
   
      -2427.98969033 
      -2427.83678343 
      -2427.93872136 
   
  
  
      38.96   38.96
      46.78   46.78
   
      -2426.07749433 
      -2425.92269864 
      -2426.02589576 
   
  
  
      37.73   37.72
      45.30   45.30
   
      -2426.59535316 
      -2426.44202660 
      -2426.54424431 
   
  
  
      46.01   45.99
      55.02   54.99
   
      -2425.87185815 
      -2425.70948409 
      -2425.81773346