vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 10 20 
  10:35:07 
 
 
  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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        0.02083333 
 
 
  
   No title
    F  
  
  
   accura
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     T  
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     T  
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     F  
     F  
   
   
        60
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         6
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      T  
      F  
           0.00100000
           0.00000000
           0.30000000
          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
         6.37694063
         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                   
   
  
 
 
  
   
          14.06423767      -0.45681474      -0.51816155 
          -0.46541543      13.50037148       0.00044529 
          -0.52630642      -0.00109715      13.18843855 
   
      2497.63508022 
   
           0.07128696       0.00245747       0.00284503 
           0.00241238       0.07415520       0.00010244 
           0.00280072       0.00009405       0.07593576 
   
  
  
          0.06066194       0.78391513       0.03592774 
          0.87968684       0.02667305       0.61221737 
          0.91226048       0.96555988       0.68562536 
          0.00798568       0.77079432       0.94745522 
          0.00528515       0.83591385       0.10810666 
          0.91355136       0.81239126       0.95726557 
          0.88316931       0.97682705       0.51170276 
          0.93426431       0.87006570       0.63842479 
          0.84462727       0.89190092       0.10612007 
          0.85233155       0.99433401       0.09691008 
          0.79808529       0.05077489       0.15457841 
          0.78117787       0.84397642       0.16899544 
          0.72661789       0.90024703       0.22772906 
          0.73669064       0.00283928       0.22010428 
          0.59672313       0.07477050       0.26272575 
          0.56181312       0.16265517       0.30410950 
          0.46332262       0.18143819       0.28580833 
          0.53493909       0.01103130       0.20210093 
          0.43949540       0.03063764       0.18750253 
          0.40362196       0.11387429       0.23058009 
          0.80834637       0.16143189       0.14806960 
          0.62388292       0.23309572       0.35459417 
          0.87744972       0.48609570       0.21722304 
          0.89665187       0.55360706       0.30752273 
          0.95325786       0.62530163       0.23841167 
          0.94596171       0.54335592       0.15226932 
          0.79634648       0.42633465       0.18049336 
          0.90291732       0.57223911       0.05020897 
          0.97366237       0.52194460       0.38765699 
          0.05395458       0.63859555       0.28701092 
          0.73406755       0.37865992       0.01160065 
          0.62940145       0.38738811       0.02886515 
          0.56681336       0.31585840       0.96172279 
          0.75358403       0.34435434       0.91089537 
          0.68516955       0.31643335       0.83693997 
          0.58157005       0.33000534       0.85161352 
          0.43523901       0.30573785       0.74744654 
          0.41143007       0.29629089       0.64273350 
          0.33156685       0.33980876       0.59789045 
          0.37454569       0.35174901       0.80837854 
          0.29491264       0.39492779       0.76277317 
          0.27477652       0.39174544       0.65775145 
          0.51035649       0.24549767       0.00010735 
          0.47436340       0.24327130       0.57862139 
          0.71892925       0.80365964       0.69338920 
          0.62813917       0.86111214       0.70159601 
          0.60871982       0.85693263       0.58500104 
          0.70299707       0.80286990       0.57634751 
          0.72056484       0.69679459       0.72366207 
          0.70871849       0.69660454       0.54493377 
          0.65884990       0.97054053       0.72405925 
          0.62573436       0.96548077       0.55187359 
          0.76989911       0.54967193       0.63143923 
          0.85847023       0.54951741       0.68272010 
          0.91474375       0.46621010       0.67562595 
          0.73037308       0.46587422       0.57626314 
          0.78301605       0.38339324       0.56938069 
          0.87474420       0.38139473       0.61626990 
          0.96990809       0.25132831       0.67425263 
          0.05661429       0.21154327       0.65742226 
          0.10513802       0.16543760       0.73850994 
          0.92753954       0.23661207       0.76530948 
          0.97526924       0.18644761       0.84363414 
          0.06544638       0.15376367       0.83131784 
          0.00824635       0.48098578       0.71570115 
          0.09423800       0.21085850       0.55409747 
          0.60457311       0.48831375       0.99206255 
          0.45708086       0.51314271       0.13991176 
          0.53956619       0.59002523       0.13561683 
          0.60441594       0.58579373       0.04476016 
          0.57207320       0.50020961       0.89466790 
          0.56554984       0.65365260       0.96077479 
          0.46091306       0.46769441       0.23588901 
          0.59361234       0.58016135       0.23648386 
          0.49061350       0.62702945       0.78422775 
          0.49750596       0.58211699       0.68961178 
          0.44620539       0.61675223       0.60390532 
          0.42972520       0.70444664       0.79077447 
          0.38066625       0.74052295       0.70484863 
          0.39093832       0.69855019       0.61065134 
          0.27335671       0.78510748       0.51024439 
          0.27638685       0.88203853       0.47265157 
          0.19158142       0.92455006       0.44233165 
          0.18690525       0.73391818       0.52616647 
          0.10245810       0.77762341       0.49628090 
          0.10489155       0.87097726       0.45098254 
          0.44988350       0.57067526       0.50161050 
          0.37015687       0.94020230       0.46808156 
          0.11873640       0.31686179       0.19266247 
          0.19610203       0.23821026       0.19882308 
          0.16300808       0.20486629       0.08915981 
          0.09328686       0.29036732       0.08056863 
          0.16479719       0.42029630       0.19433449 
          0.13118292       0.37894832       0.02222479 
          0.17187067       0.15073970       0.26577310 
          0.11229514       0.10271172       0.10192498 
          0.21399021       0.54666455       0.06425829 
          0.25605819       0.61208623       0.13942710 
          0.28778365       0.70837990       0.11516532 
          0.21416773       0.57695342       0.96246734 
          0.24725137       0.67263887       0.93808324 
          0.27847856       0.74160144       0.01417290 
          0.33883500       0.89261520       0.92744592 
          0.29736507       0.93498074       0.83844117 
          0.35559119       0.99739990       0.78062175 
          0.43582888       0.91022549       0.95490364 
          0.49297751       0.97049727       0.89548039 
          0.45241644       0.01536016       0.80898166 
          0.33075090       0.77431132       0.20048714 
          0.19449749       0.91326748       0.80168850 
          0.13228955       0.76412589       0.05776523 
          0.85031218       0.09884025       0.61902725 
          0.91887636       0.97720081       0.76733113 
          0.02636782       0.73948166       0.87642329 
          0.90347807       0.02881617       0.04779721 
          0.77566853       0.76332061       0.17313452 
          0.67865582       0.86607852       0.28066564 
          0.43834135       0.25073920       0.31211790 
          0.56148978       0.94664538       0.16704380 
          0.39134843       0.98070253       0.14009760 
          0.32864604       0.12628417       0.21615043 
          0.92258195       0.83037604       0.48109630 
          0.68323166       0.64387797       0.34116975 
          0.83515364       0.57736005       0.34531619 
          0.92179890       0.69435703       0.21529900 
          0.01426135       0.51090287       0.14296758 
          0.61852094       0.37718030       0.10942632 
          0.82886071       0.33849010       0.89934061 
          0.70040041       0.28465118       0.76393178 
          0.31492619       0.33344162       0.51618945 
          0.38924544       0.35667639       0.89043212 
          0.24821743       0.43065373       0.81126009 
          0.21399915       0.42730154       0.62179217 
          0.12250134       0.55775478       0.40468000 
          0.78389389       0.84067173       0.73105262 
          0.57576460       0.83097609       0.75249962 
          0.54310146       0.82111047       0.54862224 
          0.75358075       0.84598449       0.53208687 
          0.88887556       0.61532999       0.72385398 
          0.65821300       0.46524917       0.54063600 
          0.75376992       0.31593300       0.53102559 
          0.17406612       0.13726011       0.72746895 
          0.85537161       0.25917476       0.77017667 
          0.94097625       0.17166741       0.91385689 
          0.10213138       0.11499786       0.89306644 
          0.69089941       0.11006330       0.63416642 
          0.41089411       0.41061116       0.07551275 
          0.38814673       0.53164345       0.10500943 
          0.51644474       0.66680678       0.13504815 
          0.67696226       0.61706888       0.06873415 
          0.54120435       0.51973253       0.68250927 
          0.42398159       0.73917310       0.86377591 
          0.33721731       0.80355191       0.71015922 
          0.19349189       0.00019823       0.41336502 
          0.18666570       0.65987767       0.55929222 
          0.03522097       0.73632472       0.50884647 
          0.04022460       0.90463743       0.42234870 
          0.57716654       0.48894223       0.36050345 
          0.06431675       0.30842015       0.24773266 
          0.26902592       0.27051284       0.21625816 
          0.21527438       0.20383482       0.03171007 
          0.01911720       0.27008764       0.05356878 
          0.26219800       0.58912924       0.21806011 
          0.18484418       0.52689351       0.90236375 
          0.24218393       0.69544232       0.85914888 
          0.32461083       0.03087695       0.71180454 
          0.46618524       0.87430975       0.02237991 
          0.56942264       0.98219962       0.91567502 
          0.49606399       0.06475801       0.76365662 
          0.09606350       0.00974353       0.22789763 
          0.03127380       0.87289094       0.19137933 
          0.85018363       0.82716727       0.89210564 
          0.86456701       0.00748366       0.42587142 
          0.96126744       0.79381777       0.67891700 
          0.69012909       0.06420723       0.28115066 
          0.72809964       0.39858455       0.23331114 
          0.83715742       0.62299386       0.03056946 
          0.96485767       0.46340999       0.45731553 
          0.12062136       0.69147815       0.25954144 
          0.52205729       0.26982249       0.78261589 
          0.72321882       0.65872255       0.80690080 
          0.71044581       0.66174034       0.45821961 
          0.68783298       0.00408357       0.80828451 
          0.61970787       0.99364197       0.46293732 
          0.92358593       0.30175018       0.59563241 
          0.56442221       0.43309176       0.81932142 
          0.55418911       0.74219731       0.97035657 
          0.41064053       0.40676567       0.28147423 
          0.66685285       0.64114821       0.26508697 
          0.35795155       0.73872614       0.52054048 
          0.19144904       0.46740750       0.27127624 
          0.12590620       0.38614415       0.92988960 
          0.19073391       0.14430171       0.35703554 
          0.06791502       0.05060996       0.03615748 
          0.28318528       0.84285836       0.99709379 
          0.91307805       0.83862132       0.06071389 
          0.91290440       0.88168935       0.53452664 
          0.80529255       0.40268828       0.07701355 
          0.05877991       0.57344314       0.36849939 
          0.72501476       0.64080150       0.63157319 
          0.65451836       0.02372366       0.63511885 
          0.54222370       0.59622292       0.87309977 
          0.55432820       0.50906168       0.28898644 
          0.17279057       0.45219996       0.09231380 
          0.12314732       0.07749306       0.20364061 
          0.72151378       0.20038702       0.13120671 
          0.86146251       0.19152700       0.06958713 
          0.85274919       0.20465902       0.23386119 
          0.71287004       0.22348526       0.38203402 
          0.73480283       0.18816481       0.63707913 
          0.59632770       0.31876459       0.38184294 
          0.36230742       0.35706189       0.04675706 
          0.44657191       0.18204065       0.95105579 
          0.51075175       0.22972641       0.09985863 
          0.43761359       0.23730729       0.47997877 
          0.48671401       0.14829301       0.60926746 
          0.56386039       0.29005574       0.57738233 
          0.95246461       0.53716066       0.97199942 
          0.04160998       0.56343108       0.76353605 
          0.07620884       0.42091262       0.70740654 
          0.03252604       0.15645333       0.48671241 
          0.17943123       0.16863755       0.55749011 
          0.10705474       0.30283274       0.51181923 
          0.36226191       0.54145818       0.45761081 
          0.50263044       0.48835757       0.50553024 
          0.49247429       0.63516659       0.43530241 
          0.41962107       0.94353645       0.56242010 
          0.35940830       0.03564496       0.43999475 
          0.42811560       0.90105899       0.40247884 
          0.42349192       0.80705675       0.18282478 
          0.33700203       0.72695657       0.29079021 
          0.28234708       0.85718311       0.21267440 
          0.17156544       0.95850001       0.71144064 
          0.13276755       0.94194570       0.86873170 
          0.17218169       0.81352804       0.78377160 
  
 
 
  
      17.58   17.59
      18.66   18.68
   
       1440.02841692 
     -21427.81549016 
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      19.53   19.55
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      19.57   19.59
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      19.51   19.53
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      -1571.66712953 
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      20.36   20.37
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      18.76   18.78
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      20.56   20.58
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      18.78   18.80
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      17.84   17.86
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      19.05   19.07
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      18.57   18.60
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      19.42   19.44
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      17.99   18.01
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      18.64   18.66
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        -21.53672465      -5.11667666      -3.13813823 
         -5.11667662     -24.06067150      -0.89748802 
         -3.13813824      -0.89748806     -25.62941638 
  
  
     -1571.65515595 
     -1571.65515595 
     -1571.65515595 
  
  
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      -4047.71792485 
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      -3283.17092297 
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      -3290.73435195 
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      -3291.30369396 
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      -3291.33363940 
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          4.85353716       0.43088664       7.65810742 
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           2        2        2 
          0.00000000       0.00000000       0.00000000 
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           0.12500000 
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            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 
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            2        1        2        6        8 
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            2        1        2        3        6 
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            2        3        6        7        8 
   
         0.02083333 
  
  
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       1435.25462675 
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         0.02083333 
  
  
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         0.02083333 
  
  
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          2.91711773       0.11939015       0.47139333 
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         0.02083333 
  
  
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         0.02083333 
  
  
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            2        2        3        4        7 
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         0.02083333 
  
  
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