vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 10 13 
  19:22:54 
 
 
  No title
       0
  Accurate
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       6
       8
        0.00001000
       1
       2
      400.00000000
        0.77000000      0.32000000      0.73000000      0.75000000      0.72000000
  Auto
      -5
       1
   F  
   F  
   F  
       1
   T  
 
 
  
   
    
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       2505.95011924 
    
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        0.02083333 
 
 
  
   No title
    F  
  
  
   accura
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         0.00001000
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     T  
     T  
   
   
     T  
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     F  
   
   
         0
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         1
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     F  
   
   
     F  
     F  
   
   
        60
        -5
         6
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      T  
      F  
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          4
           0.40000000
    
   
   
          0.40000000
          1.00000000
          0.10000000
          1.60000000
          1.00000000
    
          4
      F  
        -45
         100.00000000
          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       96
       90
       90
      192
      180
      180
    F  
  
  
        1
        8
        0
        2
         0.00000000
         0.00010000
        0
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         0.77000000      0.32000000      0.73000000      0.75000000      0.72000000
      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      1.00000000     16.00000000     14.00100000     18.99800000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      1.00000000      1.00000000      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
         6.39817052
         1.00000000
  
  
    T  
    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  
    T  
    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
         0.80000001
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
       235 
         5 
  
   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
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    N    4
    N    4
    N    4
    N    4
    N    4
    N    4
    N    4
    N    4
    N    4
    N    4
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
     110C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      60H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
      25O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      10N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
      30F      18.99800000      7.00000000  PAW_PBE F 08Apr2002                   
   
  
 
 
  
   
          14.12525579      -0.40972724      -0.51032360 
          -0.41819856      13.50102589       0.06770677 
          -0.52046244       0.06266642      13.17122873 
   
      2505.95011924 
   
           0.07095946       0.00218398       0.00279358 
           0.00214076       0.07413610      -0.00026813 
           0.00273834      -0.00029648       0.07603268 
   
  
  
          0.06254258       0.82143507       0.01044631 
          0.87556774       0.01970303       0.60779691 
          0.90811536       0.96056280       0.68379069 
          0.00127487       0.79770861       0.93058634 
          0.01037605       0.86255504       0.09183111 
          0.90488844       0.82530513       0.95394777 
          0.87684937       0.96550250       0.50979099 
          0.92886463       0.86301515       0.64084998 
          0.84659325       0.90208920       0.10985581 
          0.86278513       0.00357482       0.12460545 
          0.80617948       0.05328054       0.18556975 
          0.77318592       0.84832196       0.15410624 
          0.71580795       0.89748222       0.21596047 
          0.73250005       0.99901312       0.23036073 
          0.58904095       0.06700643       0.27135365 
          0.55595371       0.15569814       0.31286627 
          0.46186989       0.18412435       0.28442901 
          0.52825228       0.00933627       0.20480831 
          0.43693325       0.03836421       0.17978520 
          0.40422108       0.12508040       0.21898844 
          0.82689804       0.16248804       0.20257097 
          0.61788168       0.22120192       0.36846658 
          0.88947427       0.50474032       0.21281969 
          0.90505921       0.57435671       0.30102068 
          0.95943995       0.64641387       0.23011544 
          0.95385841       0.56429562       0.14510141 
          0.81003263       0.44237976       0.17903908 
          0.90598085       0.59142547       0.04437534 
          0.98194482       0.54624050       0.38298433 
          0.05983283       0.66036097       0.27765551 
          0.74833706       0.38876559       0.01256267 
          0.64371811       0.38859059       0.03252954 
          0.58868687       0.30997928       0.96906401 
          0.76756203       0.35953730       0.91003335 
          0.69973485       0.32691335       0.83822004 
          0.59603904       0.32627823       0.85734605 
          0.44799198       0.27986382       0.76755192 
          0.41367358       0.27385425       0.66500578 
          0.32037402       0.29664150       0.63623104 
          0.38836254       0.30651999       0.84068896 
          0.29563518       0.32895660       0.81107137 
          0.26175923       0.32488847       0.70923102 
          0.55102462       0.23000470       0.01279665 
          0.47584232       0.24440249       0.58548679 
          0.71507095       0.80491282       0.69891051 
          0.62882529       0.86673185       0.71481416 
          0.60161037       0.86435005       0.59927266 
          0.69270614       0.80753941       0.58265218 
          0.71405379       0.69696254       0.72691126 
          0.69439149       0.70195467       0.54821780 
          0.66406373       0.97512080       0.73507719 
          0.61949334       0.97240364       0.56498139 
          0.76203086       0.55407747       0.62833641 
          0.85267885       0.55594118       0.67475603 
          0.91096747       0.47556139       0.66176269 
          0.72362360       0.47136177       0.57243658 
          0.77868288       0.39095581       0.56084787 
          0.87125671       0.39096371       0.60388175 
          0.96031036       0.25835015       0.66686483 
          0.04091090       0.20595732       0.65419428 
          0.07978062       0.15365842       0.73757714 
          0.91587416       0.25239744       0.75741517 
          0.95399762       0.19752062       0.83861789 
          0.03753818       0.14976001       0.82963968 
          0.00621518       0.49199292       0.69277018 
          0.08112442       0.20014906       0.55235829 
          0.60780608       0.48518101       0.99425836 
          0.45928480       0.50778289       0.14375916 
          0.54048194       0.58502309       0.13705801 
          0.60414304       0.58237697       0.04519370 
          0.57059730       0.49398822       0.89785226 
          0.56114518       0.64777276       0.96066723 
          0.46137613       0.46793636       0.24308734 
          0.59442790       0.57753794       0.23838565 
          0.48523839       0.61936927       0.78489317 
          0.48455713       0.56890052       0.69225242 
          0.43546731       0.60569341       0.60540481 
          0.43287216       0.70419776       0.78806320 
          0.38630174       0.74188782       0.70107019 
          0.38933850       0.69430855       0.60873067 
          0.27265466       0.78133342       0.50707135 
          0.27253288       0.87579712       0.46199865 
          0.18648671       0.91697862       0.43431461 
          0.18840107       0.73213427       0.53226179 
          0.10272555       0.77504394       0.50554904 
          0.10157853       0.86531621       0.45337628 
          0.42908230       0.55158947       0.50647596 
          0.36423744       0.93515614       0.45226695 
          0.11769017       0.31778640       0.18867834 
          0.19996626       0.24629703       0.20630241 
          0.18844590       0.21805244       0.09236366 
          0.10190577       0.28667324       0.07679819 
          0.15951371       0.42267697       0.18652106 
          0.12497768       0.37874697       0.01592570 
          0.17167334       0.15217697       0.26292318 
          0.15951658       0.10798441       0.09159982 
          0.21034087       0.54543365       0.05230589 
          0.25162019       0.61189725       0.12591562 
          0.28383760       0.70722881       0.09898356 
          0.21230816       0.57276083       0.94928388 
          0.24473995       0.66797529       0.92248677 
          0.27495280       0.73810057       0.99683977 
          0.33614743       0.89096528       0.91050871 
          0.29734060       0.93543095       0.82089929 
          0.35658302       0.99991091       0.76636999 
          0.43188307       0.90795157       0.94157111 
          0.49038398       0.96898239       0.88445934 
          0.45225573       0.01654106       0.79772845 
          0.32785351       0.77412467       0.18232515 
          0.19664796       0.91370701       0.77894037 
          0.13875170       0.81880160       0.01866853 
          0.84848822       0.09339479       0.61163879 
          0.91604585       0.97566952       0.76479386 
          0.01437821       0.76955764       0.85643126 
          0.92077003       0.04327791       0.08888783 
          0.76242459       0.76875282       0.14174117 
          0.66043956       0.85696322       0.25536856 
          0.43871848       0.25381167       0.31201760 
          0.55265357       0.94365106       0.17063842 
          0.39027430       0.99353497       0.12659350 
          0.33378179       0.14698579       0.19437977 
          0.91497717       0.81721370       0.48562493 
          0.68004704       0.64420788       0.34112648 
          0.84181070       0.59625661       0.33668018 
          0.92705504       0.71523286       0.20655028 
          0.02303532       0.53528820       0.13336722 
          0.63576677       0.37812701       0.11388996 
          0.84247636       0.36291226       0.89500053 
          0.71414424       0.29997408       0.76319263 
          0.29454155       0.29270430       0.55647422 
          0.41318368       0.31259818       0.92050048 
          0.24923204       0.35010246       0.86824397 
          0.18957754       0.34250704       0.68670341 
          0.12949058       0.58331360       0.39887282 
          0.78278303       0.83753865       0.73323054 
          0.57983409       0.83820853       0.76999232 
          0.53365989       0.83079053       0.56800416 
          0.74083173       0.85059153       0.53552479 
          0.88278963       0.62159555       0.71527947 
          0.65020780       0.46922265       0.54102633 
          0.75014338       0.32374947       0.52279222 
          0.14366204       0.11484706       0.72903167 
          0.84888279       0.28667084       0.76045424 
          0.91678769       0.19148782       0.90823236 
          0.06998221       0.10822276       0.89286558 
          0.69372256       0.11563532       0.63904381 
          0.43099130       0.39728528       0.09323443 
          0.39091895       0.52220972       0.10469040 
          0.51563476       0.66136861       0.13571789 
          0.67525103       0.61659438       0.06768059 
          0.52093596       0.50092025       0.68714355 
          0.43233634       0.74337377       0.85914524 
          0.35043869       0.81059868       0.70411173 
          0.18560605       0.99113946       0.40101427 
          0.19050808       0.66041901       0.57103707 
          0.03750611       0.73579042       0.52690109 
          0.03575774       0.89880182       0.42826857 
          0.57609904       0.49261795       0.36761369 
          0.05987348       0.30991570       0.23963744 
          0.26715463       0.28151732       0.23917058 
          0.24746160       0.23587760       0.04472491 
          0.03394528       0.25071061       0.04827024 
          0.25687704       0.59050231       0.20537242 
          0.18487455       0.52139475       0.89009577 
          0.24080556       0.68940477       0.84280215 
          0.32741378       0.03553717       0.69746455 
          0.46037145       0.87090713       0.00967973 
          0.56589436       0.98009329       0.90764200 
          0.49711331       0.06649071       0.75426061 
          0.12432639       0.00657604       0.20663094 
          0.04056603       0.89837597       0.17412867 
          0.83278782       0.82966108       0.89799906 
          0.85697497       0.99261419       0.42259099 
          0.95669466       0.78811927       0.68474582 
          0.68098623       0.05173634       0.29433374 
          0.74263736       0.41670389       0.23327792 
          0.83623034       0.63731722       0.02767887 
          0.97314533       0.49160174       0.45663743 
          0.12520639       0.71326619       0.24829926 
          0.54289928       0.26024682       0.79038430 
          0.71758516       0.65623816       0.80933737 
          0.68972961       0.67005030       0.46016131 
          0.69747777       0.00756890       0.81796408 
          0.60750017       0.00165961       0.47639606 
          0.92224464       0.31196019       0.58495804 
          0.56375966       0.42544959       0.82456964 
          0.54860186       0.73616156       0.96924033 
          0.41001877       0.41099619       0.29155363 
          0.66662661       0.63940444       0.26506674 
          0.35774587       0.73603462       0.51782204 
          0.18249249       0.47273658       0.26176830 
          0.10966806       0.38862232       0.92405628 
          0.16917360       0.14165820       0.35457100 
          0.14687253       0.05282803       0.01807650 
          0.27844664       0.83913473       0.97651871 
          0.91421929       0.85516150       0.05705489 
          0.90609804       0.87060308       0.53685103 
          0.81927361       0.41623912       0.07603035 
          0.06610281       0.59594340       0.36043476 
          0.71454753       0.64350706       0.63302728 
          0.65667864       0.02878684       0.64593233 
          0.53617787       0.58858512       0.87485048 
          0.55486666       0.50899877       0.29424902 
          0.16898572       0.45201472       0.08337649 
          0.14898581       0.07817023       0.19105337 
          0.74710712       0.21387629       0.18596356 
          0.89056169       0.20114329       0.13657719 
          0.86552076       0.18449362       0.29763249 
          0.70338348       0.20539509       0.40356888 
          0.73592722       0.19208521       0.63219926 
          0.59509176       0.31073664       0.38926941 
          0.39236011       0.33349679       0.07142649 
          0.49719076       0.15578659       0.96947191 
          0.56262467       0.21476308       0.11297071 
          0.43236488       0.25327804       0.48984318 
          0.49943057       0.14809830       0.59511107 
          0.55968071       0.30100156       0.58657011 
          0.95490439       0.56149243       0.96380071 
          0.04093064       0.57274659       0.74114168 
          0.07389191       0.43485302       0.67340239 
          0.01513887       0.15896665       0.48135136 
          0.15724945       0.14279353       0.55760967 
          0.11024850       0.29086889       0.51435364 
          0.33819570       0.51847805       0.47759081 
          0.48337366       0.47068728       0.51094512 
          0.46052768       0.61022712       0.42905773 
          0.41115961       0.94877402       0.54694994 
          0.35065679       0.02731714       0.41336603 
          0.42500539       0.89201016       0.39309841 
          0.42042002       0.80457963       0.16301326 
          0.33456443       0.72821185       0.27402214 
          0.28146368       0.85861670       0.19261229 
          0.18057434       0.95229213       0.68336362 
          0.13096177       0.94986404       0.83653323 
          0.17351126       0.81348041       0.76977215 
  
 
 
  
      17.65   17.67
      18.75   18.77
   
       1435.25023223 
     -21286.92696909 
     -25270.38012112 
       3603.79016053 
      38954.76530301 
     -39227.85659888 
          0.00000000 
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        -20.22684434      -4.44712062      -3.24799388 
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     -1571.56052802 
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     -1571.56052802 
  
  
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           2        2        2 
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            2        2        3        4        7 
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         0.02083333 
  
  
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           0.50000000       0.50000000       0.50000000 
   
   
           0.12500000 
           0.12500000 
           0.12500000 
           0.12500000 
           0.12500000 
           0.12500000 
           0.12500000 
           0.12500000 
   
   
            2        2        3        4        7 
            2        1        2        3        7 
            2        1        2        5        7 
            2        2        4        7        8 
            2        2        6        7        8 
            2        2        5        6        7 
            2        1        3        4        8 
            2        1        2        4        8 
            2        1        2        6        8 
            2        1        3        7        8 
            2        1        5        7        8 
            2        1        5        6        8 
            2        1        2        4        5 
            2        1        3        4        5 
            2        3        4        5        7 
            2        2        4        5        6 
            2        4        5        6        8 
            2        4        5        7        8 
            2        1        2        3        6 
            2        2        3        4        6 
            2        3        4        6        8 
            2        1        3        5        6 
            2        3        5        6        7 
            2        3        6        7        8 
   
         0.02083333 
  
  
     497.62  497.47
   
       -375.34893596 
       -375.34893596 
       -375.34893596 
   
  
  
     322.00  321.90
   
       -306.66187775 
       -306.66187775 
       -306.66187775 
   
  
  
     333.00  332.91
   
       -301.06629560 
       -301.06629560 
       -301.06629560 
   
  
  
     341.66  341.55
   
       -300.59067422 
       -300.59067422 
       -300.59067422 
   
  
  
     331.30  331.21
   
       -298.68719622 
       -298.68719622 
       -298.68719622 
   
  
  
     333.17  333.08
   
       -298.10758408 
       -298.10758408 
       -298.10758408 
   
  
  
   
           2        2        2 
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
         -0.00000000       0.50000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.00000000       0.00000000       0.00000000 
   
   
           0.00000000       0.00000000       0.00000000 
           0.50000000       0.00000000       0.00000000 
          -0.00000000       0.50000000      -0.00000000 
           0.50000000       0.50000000       0.00000000 
           0.00000000       0.00000000       0.50000000 
           0.50000000       0.00000000       0.50000000 
          -0.00000000       0.50000000       0.50000000 
           0.50000000       0.50000000       0.50000000 
   
   
           0.12500000 
           0.12500000 
           0.12500000 
           0.12500000 
           0.12500000 
           0.12500000 
           0.12500000 
           0.12500000 
   
   
            2        2        3        4        7 
            2        1        2        3        7 
            2        1        2        5        7 
            2        2        4        7        8 
            2        2        6        7        8 
            2        2        5        6        7 
            2        1        3        4        8 
            2        1        2        4        8 
            2        1        2        6        8 
            2        1        3        7        8 
            2        1        5        7        8 
            2        1        5        6        8 
            2        1        2        4        5 
            2        1        3        4        5 
            2        3        4        5        7 
            2        2        4        5        6 
            2        4        5        6        8 
            2        4        5        7        8 
            2        1        2        3        6 
            2        2        3        4        6 
            2        3        4        6        8 
            2        1        3        5        6 
            2        3        5        6        7 
            2        3        6        7        8 
   
         0.02083333 
  
  
     499.18  499.02
   
       -364.00134036 
       -364.00134036 
       -364.00134036 
   
  
  
     325.42  325.33
   
       -308.19002145 
       -308.19002145 
       -308.19002145