vasp 
  6.1.1  
  19Jun20 (build Jun 25 2020 02:42:34) complex                          parallel 
  Lin64 
  2022 02 21 
  23:30:03 
 
 
   No title
       0
   Normal
   Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        0.77000000      0.32000000
   Auto
       1
        0.20000000
       1
   F  
   F  
   Normal (blocked Davidson)
      60
       1
        0.00001000
       1
 
 
  
   
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     30834.47094200 
   
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         0.00000000       0.00000000       1.00000000 
         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
      601
       -1
       -1
       961.00000000
        0
        0
        0
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         1
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     T  
     T  
   
   
     T  
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      -100
         2
     F  
   
   
         0
         2
         1
   
   
         1
     F  
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      1.00000000
         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
        60
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
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           0.30000000
          4
           0.40000000
    
   
   
          0.40000000
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          0.10000000
          1.60000000
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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
   
  
  
      150
      150
      160
      300
      300
      320
    F  
  
  
        0
       -1
        0
        2
         0.00000000
        -0.02000000
        0
         0.50000000
        -3.00000000
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         0.00010000
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        1
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        2
         0.00001000
  
  
        0
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       -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
  
  
        1
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        12.01100000      1.00000000
         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
        76.76631770
         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
       60
        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
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
       241 
         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
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    H    2
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
     240C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       1H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          30.67000000       0.00000000       0.00000000 
           0.00000000      30.67000000       0.00000000 
           0.00000000       0.00000000      32.78000000 
   
     30834.47094200 
   
           0.03260515       0.00000000       0.00000000 
           0.00000000       0.03260515       0.00000000 
           0.00000000       0.00000000       0.03050641 
   
  
  
          0.23865728       0.49995913       0.32820552 
          0.23919816       0.50102996       0.67347664 
          0.76410998       0.49980681       0.67265266 
          0.76365866       0.50012929       0.32842013 
          0.50014492       0.76235804       0.67263177 
          0.50035132       0.23676621       0.32859858 
          0.50026672       0.76181813       0.32852846 
          0.50051466       0.23712034       0.67282842 
          0.24566769       0.50009598       0.45673411 
          0.24510537       0.50021991       0.54372137 
          0.75687284       0.49992806       0.54400753 
          0.75677989       0.49999748       0.45701376 
          0.50016985       0.75436629       0.54403882 
          0.50033217       0.24424288       0.45718170 
          0.50016303       0.75436029       0.45708483 
          0.50037438       0.24435163       0.54415038 
          0.24442715       0.50033679       0.58741371 
          0.24522050       0.50006364       0.41301666 
          0.75730488       0.50003572       0.41329366 
          0.75748730       0.49989295       0.58772039 
          0.50018950       0.75503420       0.41336290 
          0.50041607       0.24378370       0.58785634 
          0.50019404       0.75508132       0.58773645 
          0.50033515       0.24356752       0.41346652 
          0.54075487       0.75567265       0.65412115 
          0.54089345       0.24327584       0.34720398 
          0.45964260       0.75596749       0.34710989 
          0.45994655       0.24339567       0.65414706 
          0.24486070       0.45940151       0.34683620 
          0.24472298       0.54070544       0.65299908 
          0.75770747       0.45929567       0.65393866 
          0.75769631       0.54070601       0.34709185 
          0.45977177       0.24297853       0.34722346 
          0.45967181       0.75606113       0.65381926 
          0.54101209       0.24353600       0.65406496 
          0.54081790       0.75530933       0.34710105 
          0.75771369       0.54036562       0.65402751 
          0.75713196       0.45956300       0.34697952 
          0.24472690       0.54060489       0.34671010 
          0.24519089       0.46031496       0.65427726 
          0.54007132       0.75094062       0.52237264 
          0.54024315       0.24772922       0.47884214 
          0.46019168       0.75159371       0.47877268 
          0.46041483       0.24732348       0.52249179 
          0.24888295       0.46022120       0.47854122 
          0.24809299       0.54014828       0.52190495 
          0.75344579       0.46003502       0.52228688 
          0.75377380       0.53992160       0.47874806 
          0.46039789       0.24725508       0.47888397 
          0.46018840       0.75154815       0.52237607 
          0.54026124       0.24778044       0.52244116 
          0.54007004       0.75091757       0.47877124 
          0.75377917       0.53988808       0.52235601 
          0.75336261       0.46007233       0.47867748 
          0.24846150       0.54008196       0.47833834 
          0.24871599       0.46027743       0.52217101 
          0.54031785       0.75233304       0.39197881 
          0.54053022       0.24648090       0.60922393 
          0.46006167       0.75292093       0.60908063 
          0.46020334       0.24587663       0.39207463 
          0.24749122       0.46044308       0.60922301 
          0.24754971       0.54019265       0.39158922 
          0.75444174       0.45995670       0.39186081 
          0.75496291       0.53998681       0.60916675 
          0.46031095       0.24618651       0.60928448 
          0.46003896       0.75302093       0.39197130 
          0.54043750       0.24625944       0.39205513 
          0.54027827       0.75251308       0.60921921 
          0.75494568       0.54020225       0.39194683 
          0.75482305       0.45977151       0.60909208 
          0.24669078       0.54052397       0.60862057 
          0.24777212       0.45990924       0.39170607 
          0.58126168       0.74882071       0.67249673 
          0.58133628       0.25018186       0.32858073 
          0.41908538       0.74975388       0.32845183 
          0.41947281       0.25023549       0.67262552 
          0.25142476       0.41882107       0.32834382 
          0.25251216       0.58055090       0.67295730 
          0.75077323       0.41885280       0.67252573 
          0.75109812       0.58123519       0.32849728 
          0.41930156       0.24969263       0.32861131 
          0.41944280       0.74924608       0.67293989 
          0.58147455       0.25043178       0.67262808 
          0.58132839       0.74854955       0.32859133 
          0.75065865       0.58075975       0.67265440 
          0.75003588       0.41914097       0.32839890 
          0.25118440       0.58117343       0.32816533 
          0.25225793       0.41978814       0.67197375 
          0.57897660       0.74153530       0.54411212 
          0.57910403       0.25736328       0.45712309 
          0.42113220       0.74272280       0.45708213 
          0.42148963       0.25672354       0.54420637 
          0.25832175       0.42126501       0.45692974 
          0.25697691       0.57926067       0.54347452 
          0.74377572       0.42115511       0.54397079 
          0.74433291       0.57887639       0.45709955 
          0.42145041       0.25656509       0.45717888 
          0.42114980       0.74251832       0.54407594 
          0.57914561       0.25745559       0.54410260 
          0.57900837       0.74150333       0.45709515 
          0.74426951       0.57877951       0.54409617 
          0.74358535       0.42123755       0.45696840 
          0.25767334       0.57909342       0.45667758 
          0.25821918       0.42146085       0.54407982 
          0.57922177       0.74213105       0.41336585 
          0.57936532       0.25686285       0.58782483 
          0.42106599       0.74298709       0.58779658 
          0.42126917       0.25594309       0.41345288 
          0.25772264       0.42142811       0.58789999 
          0.25728670       0.57921942       0.41295884 
          0.74405358       0.42109253       0.41323705 
          0.74473952       0.57890108       0.58782516 
          0.42134716       0.25623430       0.58794782 
          0.42098722       0.74337762       0.41334520 
          0.57929256       0.25669062       0.41340187 
          0.57917390       0.74221310       0.58785097 
          0.74488664       0.57910451       0.41337769 
          0.74442134       0.42093809       0.58769743 
          0.25630598       0.57943015       0.58707808 
          0.25779228       0.42101860       0.41319460 
          0.61791891       0.73018980       0.65411800 
          0.61787789       0.26901722       0.34708044 
          0.38226386       0.73155121       0.34700395 
          0.38277240       0.26878075       0.65430366 
          0.26978868       0.38215292       0.34700622 
          0.26958670       0.61743557       0.65308177 
          0.73188705       0.38236382       0.65399414 
          0.73243789       0.61779217       0.34713787 
          0.38267890       0.26830575       0.34715171 
          0.38285010       0.73049840       0.65431306 
          0.61801708       0.26923520       0.65410561 
          0.61806635       0.73019461       0.34711611 
          0.73188051       0.61731545       0.65416433 
          0.73133064       0.38257964       0.34695879 
          0.26927022       0.61803028       0.34673470 
          0.27037265       0.38271779       0.65427138 
          0.61599880       0.72622365       0.52243302 
          0.61600072       0.27300801       0.47877495 
          0.38397009       0.72771034       0.47877345 
          0.38454913       0.27216092       0.52247112 
          0.27356676       0.38430085       0.47874900 
          0.27225567       0.61638751       0.52196218 
          0.72798345       0.38434310       0.52227992 
          0.72867175       0.61572540       0.47882487 
          0.38451730       0.27208213       0.47886219 
          0.38397633       0.72755828       0.52242061 
          0.61602179       0.27304042       0.52238304 
          0.61602191       0.72623043       0.47881799 
          0.72861061       0.61566867       0.52243458 
          0.72789373       0.38437899       0.47866242 
          0.27255243       0.61629302       0.47838580 
          0.27357489       0.38441747       0.52239203 
          0.61669741       0.72752182       0.39198976 
          0.61667891       0.27184566       0.60921906 
          0.38372195       0.72823721       0.60931918 
          0.38393529       0.27083881       0.39203056 
          0.27263612       0.38401812       0.60927498 
          0.27176402       0.61675482       0.39160902 
          0.72886820       0.38385998       0.39183679 
          0.72952359       0.61609775       0.60927127 
          0.38402622       0.27119931       0.60936801 
          0.38349860       0.72897592       0.39187522 
          0.61656918       0.27168552       0.39195407 
          0.61658925       0.72750081       0.60924533 
          0.72985654       0.61641366       0.39199960 
          0.72928435       0.38369892       0.60912062 
          0.27113748       0.61661423       0.60868985 
          0.27242174       0.38353525       0.39186973 
          0.65436129       0.71133774       0.67277449 
          0.65416894       0.28815476       0.32847104 
          0.34572442       0.71290889       0.32832646 
          0.34630273       0.28781685       0.67280963 
          0.28849381       0.34558019       0.32844654 
          0.28846735       0.65271492       0.67361599 
          0.71266805       0.34611656       0.67258379 
          0.71333599       0.65415121       0.32858544 
          0.34631683       0.28734766       0.32857016 
          0.34656400       0.71098863       0.67214038 
          0.65436985       0.28832490       0.67262455 
          0.65469119       0.71158796       0.32855913 
          0.71267334       0.65358814       0.67274968 
          0.71217057       0.34627855       0.32836824 
          0.28784746       0.65469575       0.32818596 
          0.28900231       0.34611797       0.67296837 
          0.65024156       0.70547442       0.54414087 
          0.65003423       0.29405971       0.45703811 
          0.34970984       0.70707741       0.45697468 
          0.35055026       0.29333976       0.54414448 
          0.29435246       0.35001807       0.45709570 
          0.29298754       0.65062422       0.54381990 
          0.70675186       0.35040074       0.54400163 
          0.70737678       0.64965934       0.45714264 
          0.35047747       0.29317608       0.45714929 
          0.34970167       0.70679678       0.54416538 
          0.65009543       0.29409719       0.54405719 
          0.65031656       0.70553817       0.45713931 
          0.70725271       0.64953856       0.54415234 
          0.70662265       0.35043515       0.45697817 
          0.29334290       0.65057889       0.45679454 
          0.29441951       0.35023453       0.54409585 
          0.65072485       0.70611026       0.41340711 
          0.65048683       0.29359047       0.58779281 
          0.34950331       0.70693961       0.58799480 
          0.35011483       0.29262234       0.41341544 
          0.29402391       0.34997213       0.58782334 
          0.29301026       0.65085936       0.41306930 
          0.70704678       0.35009122       0.41324282 
          0.70764554       0.64984205       0.58788462 
          0.35024494       0.29294175       0.58785851 
          0.34943760       0.70757204       0.41323087 
          0.65037123       0.29352312       0.41330204 
          0.65057355       0.70597783       0.58786871 
          0.70791001       0.65008583       0.41341761 
          0.70730326       0.35001658       0.58773873 
          0.29256558       0.65073325       0.58752777 
          0.29384939       0.34957545       0.41335589 
          0.68368839       0.68263529       0.65413685 
          0.68330590       0.31711192       0.34699530 
          0.31654261       0.68398969       0.34687826 
          0.31739702       0.31676918       0.65391392 
          0.31724378       0.31633281       0.34713215 
          0.31700232       0.68236977       0.65443629 
          0.68360278       0.31711228       0.65401940 
          0.68411929       0.68300539       0.34717767 
          0.68091785       0.67971820       0.52245604 
          0.68048312       0.32010973       0.47870528 
          0.31918717       0.68110881       0.47861887 
          0.32025159       0.31955458       0.52244300 
          0.32021304       0.31945526       0.47882446 
          0.31912843       0.68105180       0.52226190 
          0.68052393       0.32010855       0.52232918 
          0.68097373       0.67976745       0.47884288 
          0.68201796       0.68085321       0.39203302 
          0.68154244       0.31915768       0.60914703 
          0.31845426       0.68123307       0.60936423 
          0.31926770       0.31838895       0.39199804 
          0.31943196       0.31880526       0.60915882 
          0.31850370       0.68197646       0.39174058 
          0.68132703       0.31915848       0.39187724 
          0.68174159       0.68060161       0.60926976 
          0.34848331       0.55957946       0.80373376