vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 10 12 
  02:13:10 
 
 
  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      0.73000000      0.75000000      0.72000000
  Auto
       1
        0.20000000
       1
   F  
   T  
       1
 
 
  
   
    
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   No title
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     F  
     F  
   
   
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       70
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       70
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      140
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        1
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        3
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       -1
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    F  
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        3
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   T  
   F  
       0
   F  
       0
  
   --
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       235 
         5 
  
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    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    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                   
   
  
 
 
  
   
          14.19500606       0.00000000       0.00000000 
           0.00000000      14.19500606       0.00000000 
           0.00000000       0.00000000      14.19500606 
   
      2860.26812811 
   
           0.07044731       0.00000000       0.00000000 
           0.00000000       0.07044731       0.00000000 
           0.00000000       0.00000000       0.07044731 
   
  
  
          0.13038800       0.36127000       0.87963300 
          0.07346900       0.48243700       0.17172500 
          0.43763100       0.40265700       0.17534400 
          0.11321400       0.12489500       0.08354500 
          0.70257800       0.62924100       0.64679000 
          0.22982600       0.57918200       0.29254300 
          0.40444000       0.43416500       0.76907600 
          0.36805900       0.65679900       0.26834200 
          0.04882130       0.88946000       0.33451800 
          0.95102100       0.89274900       0.39822700 
          0.95267700       0.91942700       0.50653000 
          0.13859600       0.82574600       0.34575300 
          0.17917000       0.81200500       0.44486600 
          0.03551520       0.88876500       0.51920700 
          0.65984400       0.01929480       0.59860300 
          0.72727000       0.97180600       0.65763800 
          0.73766300       0.00168000       0.76520000 
          0.64285200       0.10930200       0.71632000 
          0.68697100       0.09303560       0.79036500 
          0.51322900       0.48627700       0.38581200 
          0.57580500       0.76126100       0.45575700 
          0.79021800       0.90203800       0.60917800 
          0.32616700       0.49225600       0.58301700 
          0.34570900       0.82965800       0.39357400 
          0.97477500       0.51465300       0.63101300 
          0.82984400       0.54306600       0.56273700 
          0.44637500       0.98197900       0.44620500 
          0.59714700       0.04070550       0.05244130 
          0.40710700       0.80237400       0.75277300 
          0.10982200       0.34319400       0.16550400 
          0.29288800       0.66702100       0.44830400 
          0.45989800       0.75536500       0.21348400 
          0.26806400       0.50762800       0.99710382 
          0.14454700       0.64108300       0.01789890 
          0.10605600       0.59615200       0.08872920 
          0.87014800       0.97456100       0.55973100 
          0.77404500       0.73883300       0.94906300 
          0.81735600       0.64405800       0.93352300 
          0.37169400       0.37782900       0.07871670 
          0.23523000       0.85614800       0.91981600 
          0.61487800       0.09530140       0.22136600 
          0.69811800       0.75854700       0.01340170 
          0.90229400       0.03826960       0.63357700 
          0.85514300       0.56116100       0.91992300 
          0.40508000       0.57989100       0.58420000 
          0.38188400       0.63877800       0.66306800 
          0.21723000       0.58839800       0.96067300 
          0.74328300       0.59070500       0.56182600 
          0.39362100       0.63687800       0.48192700 
          0.19226500       0.14851700       0.58716800 
          0.11220700       0.85020600       0.49089000 
          0.86931000       0.88120000       0.35873500 
          0.80628300       0.50073900       0.18855300 
          0.71642700       0.55451100       0.19358600 
          0.67720100       0.58363600       0.27749300 
          0.85158700       0.47791400       0.27874600 
          0.79836200       0.51738000       0.33688900 
          0.72413300       0.56767600       0.36804800 
          0.53117600       0.34684700       0.15123600 
          0.18504300       0.18155200       0.11496400 
          0.98559500       0.00191000       0.02860840 
          0.90986800       0.11134600       0.68375000 
          0.82494100       0.81787200       0.97307900 
          0.88494600       0.88711500       0.99239500 
          0.14657300       0.26400800       0.14066900 
          0.05370340       0.94146400       0.26036200 
          0.36017300       0.69392100       0.73701000 
          0.38472700       0.05701020       0.73134500 
          0.47848200       0.58785100       0.11905000 
          0.45639800       0.49485200       0.15185300 
          0.43582500       0.66257900       0.19861900 
          0.57392100       0.80764900       0.13325400 
          0.03394550       0.41850100       0.41104900 
          0.30862900       0.65813500       0.81476400 
          0.61896300       0.11236700       0.32337800 
          0.63773100       0.68408000       0.46045800 
          0.69633100       0.61133800       0.46593500 
          0.26324300       0.62686100       0.88402500 
          0.97427300       0.07650480       0.75375000 
          0.50596600       0.83815800       0.20101200 
          0.31306600       0.05043560       0.11901300 
          0.28051300       0.77697100       0.46780000 
          0.30920900       0.44479500       0.02699160 
          0.35878400       0.97941800       0.72186800 
          0.08933110       0.96741900       0.82673200 
          0.32678600       0.88381000       0.71020400 
          0.59492600       0.30517700       0.13554300 
          0.01897760       0.98799200       0.74734400 
          0.05915000       0.40272600       0.21619000 
          0.28029700       0.14192500       0.16727900 
          0.57314500       0.78726800       0.54834100 
          0.60025900       0.03819180       0.41222300 
          0.05745280       0.57372100       0.16537900 
          0.40618500       0.35491700       0.74213000 
          0.63590500       0.78290100       0.07320110 
          0.57191300       0.81287600       0.64618800 
          0.65839100       0.77579100       0.70958000 
          0.65664000       0.19719800       0.31580000 
          0.34816200       0.30404100       0.03487090 
          0.05947150       0.48979900       0.61920200 
          0.39148600       0.90267500       0.42456500 
          0.60591700       0.06771720       0.13602800 
          0.20621900       0.08275260       0.54654600 
          0.48882500       0.80759900       0.69946300 
          0.88482200       0.54290000       0.64636100 
          0.14731600       0.47737500       0.60717400 
          0.60101800       0.11033600       0.62307900 
          0.05019700       0.06864250       0.05546190 
          0.23619400       0.47853300       0.59474100 
          0.29498900       0.63605100       0.33381100 
          0.92148700       0.28266400       0.73063500 
          0.87405900       0.31338100       0.54877800 
          0.35060600       0.80514800       0.32326300 
          0.94662000       0.74692600       0.12084400 
          0.80951100       0.98932300       0.26885900 
          0.91623300       0.24770300       0.29719000 
          0.06880140       0.24106700       0.32471500 
          0.57043700       0.55704400       0.78035100 
          0.62792700       0.42100900       0.79156700 
          0.68664900       0.13163300       0.85665200 
          0.50057600       0.90281500       0.23817600 
          0.70735100       0.82600000       0.28591400 
          0.00752479       0.20048600       0.52585800 
          0.69841700       0.40365700       0.51768900 
          0.62007500       0.28825400       0.82976800 
          0.17837400       0.88536400       0.65912900 
          0.27915400       0.82946200       0.10810300 
          0.48073100       0.28621400       0.54633600 
          0.30078500       0.84731600       0.15357300 
          0.07107730       0.13826700       0.32970000 
          0.24082700       0.18273700       0.30610900 
          0.63641200       0.34727900       0.66349200 
          0.94477300       0.80671900       0.78149200 
          0.82863600       0.31166000       0.10116400 
          0.91316300       0.70764300       0.51408100 
          0.35415800       0.02093330       0.92255800 
          0.93313600       0.71392000       0.84660700 
          0.92931900       0.54995000       0.92378900 
          0.68298400       0.57071000       0.12945800 
          0.93795800       0.42613400       0.29568500 
          0.05927750       0.68867200       0.60697800 
          0.48993500       0.16854200       0.94650000 
          0.87770800       0.19566500       0.39290400 
          0.85224600       0.15173800       0.29005100 
          0.17017100       0.55447100       0.32815600 
          0.14864700       0.71933300       0.65825200 
          0.81189100       0.49881300       0.90441200 
          0.48363900       0.48356400       0.79915600 
          0.39316500       0.05054780       0.90144800 
          0.44609600       0.18690300       0.53124000 
          0.27547100       0.38146200       0.44897200 
          0.97346100       0.69998800       0.42922100 
          0.23517200       0.26253200       0.65897600 
          0.71030900       0.77374300       0.29628600 
          0.38625200       0.25756900       0.40698100 
          0.76282600       0.37457100       0.82697600 
          0.88242000       0.34607700       0.00684565 
          0.13209500       0.22291900       0.69257700 
          0.11302200       0.94257000       0.21419300 
          0.77431600       0.26040800       0.54284500 
          0.98855600       0.16807500       0.48787900 
          0.96415900       0.59865000       0.27473400 
          0.88293100       0.35822000       0.81713400 
          0.09432140       0.00987466       0.88805000 
          0.24440200       0.36794300       0.40765700 
          0.46213500       0.22720000       0.32295900 
          0.11786200       0.81884900       0.83358300 
          0.77121900       0.97545500       0.23432400 
          0.42880500       0.42395400       0.32275000 
          0.00932752       0.71117800       0.75606100 
          0.99442200       0.37798600       0.30721800 
          0.78818800       0.95625300       0.82703700 
          0.26512500       0.99510700       0.06332050 
          0.38750400       0.37941500       0.28087300 
          0.94394200       0.34103600       0.76573500 
          0.99705700       0.64311000       0.23580600 
          0.42375200       0.25063300       0.53387600 
          0.16451100       0.86909200       0.82313100 
          0.52036300       0.61081100       0.03979160 
          0.97716000       0.71215600       0.49507400 
          0.11356100       0.19025700       0.32567700 
          0.66650300       0.36790800       0.77063000 
          0.55340300       0.50689800       0.82201000 
          0.84667000       0.47970700       0.10213800 
          0.67143100       0.65873200       0.71182800 
          0.82135000       0.37573600       0.86927600 
          0.85601700       0.21008600       0.67279200 
          0.09653470       0.67630600       0.66287100 
          0.60248000       0.31886500       0.60813800 
          0.18735000       0.79940300       0.27216000 
          0.11436900       0.36682000       0.95578900 
          0.49280700       0.04455700       0.46176900 
          0.61080200       0.23916500       0.88230500 
          0.93494400       0.94531400       0.00921420 
          0.30296800       0.16555700       0.28346300 
          0.63235100       0.37881900       0.50596800 
          0.91095500       0.71842100       0.17729600 
          0.21646000       0.84980800       0.70643400 
          0.17624500       0.22746300       0.63537700 
          0.49621300       0.20694000       0.88780900 
          0.90647300       0.18201100       0.32756400 
          0.39576600       0.25358200       0.33311600 
          0.84418700       0.24859600       0.55391500 
          0.88145800       0.35344100       0.07861420 
          0.98314700       0.75339100       0.81232400 
          0.22337000       0.00232456       0.49681100 
          0.52978300       0.79956000       0.37769300 
          0.24119300       0.55122100       0.20099300 
          0.74278800       0.85391100       0.53935100 
          0.83248800       0.84097000       0.67103700 
          0.82220800       0.02704250       0.49254700 
          0.57664000       0.41997400       0.43601000 
          0.12035100       0.73180700       0.99796500 
          0.40177100       0.01238130       0.13341800 
          0.85907300       0.58800400       0.72820100 
          0.42298700       0.81917500       0.84778700 
          0.64694900       0.95588300       0.39308600 
          0.04518450       0.36442700       0.49073500 
          0.41520600       0.14800900       0.74322000 
          0.69624500       0.28179300       0.33839300 
          0.07930100       0.50280900       0.42372200 
          0.97999800       0.99944900       0.23735800 
          0.86676400       0.50860600       0.48081200 
          0.49550500       0.54333200       0.59071200 
          0.46284800       0.62330300       0.41385100 
          0.67286200       0.25222100       0.11668200 
          0.00065178       0.13529800       0.82678200 
          0.32503900       0.48702500       0.77164200 
          0.00552830       0.92708900       0.67490400 
          0.83317700       0.77005500       0.15946100 
          0.57404800       0.01492170       0.96269800 
          0.33268300       0.21702800       0.99767624 
          0.22505500       0.61693100       0.49475400 
          0.30618800       0.79846100       0.55917200 
          0.59412100       0.63316700       0.27566900 
  
 
 
  
     595.09  595.93
     595.72  596.58
   
       1257.45745836 
     -19403.97817039 
     -26592.32886699 
       3546.85662423 
      38954.76530301 
     -39227.85659888 
         -0.00087235 
      -3405.62176614 
      50167.53375374 
       5296.82686458 
       5296.82773693 
       5296.82715537 
   
  
  
     694.49  695.31
     694.61  695.43
   
       -919.69986009 
       -919.70309254 
       -919.70093757 
   
  
  
     649.70  650.54
     649.83  650.67
   
      -1491.47875773 
      -1491.39495497 
      -1491.45082348 
   
  
  
     689.72  690.73
     689.84  690.85
   
      -1507.02092181 
      -1506.93391572 
      -1506.99191978 
   
  
  
     699.33  700.30
     708.93  709.90
   
      -1507.47765654 
      -1507.39052974 
      -1507.44861428 
   
  
  
     661.52  662.55
     671.62  672.65
   
      -1416.60190722 
      -1416.62235954 
      -1416.60872466 
   
  
  
     731.99  732.95
     742.08  743.03
   
      -1396.75960414 
      -1396.75426538 
      -1396.75782456 
   
  
  
     714.12  715.22
     724.33  725.43
   
      -1382.98651512 
      -1382.99434698 
      -1382.98912574 
   
  
  
     693.66  694.66
     703.79  704.79
   
      -1378.91457143 
      -1378.92163021 
      -1378.91692435 
   
  
  
     690.07  691.12
     700.36  701.41
   
      -1377.28813168 
      -1377.20474712 
      -1377.26033683 
   
  
  
     703.53  704.55
     713.69  714.71
   
      -1374.92922790 
      -1374.90585670 
      -1374.92143750 
   
  
  
     726.13  727.16
     736.27  737.30
   
      -1374.41696328 
      -1374.39619861 
      -1374.41004172 
   
  
  
     699.93  700.97
     710.07  711.12
   
      -1374.54688250 
      -1374.53474756 
      -1374.54283752 
   
  
  
     722.60  723.62
     732.82  733.84
   
      -1373.39203399 
      -1373.27808565 
      -1373.35405121 
   
  
  
     693.94  694.94
     704.16  705.15
   
      -1373.35531130 
      -1373.26260282 
      -1373.32440847 
   
  
  
     689.53  690.51
     699.70  700.67
   
      -1373.27174448 
      -1373.24499583 
      -1373.26282826 
   
  
  
     708.71  709.75
     718.94  719.98
   
      -1373.10027026 
      -1372.92732924 
      -1373.04262325 
   
  
  
     676.69  677.72
     686.87  687.90
   
      -1373.15999684 
      -1373.05261561 
      -1373.12420310 
   
  
  
     696.91  697.88
     707.11  708.08
   
      -1373.09658212 
      -1372.94312471 
      -1373.04542965 
   
  
  
     682.82  683.80
     693.07  694.05
   
      -1373.09960259 
      -1372.95701751 
      -1373.05207423 
   
  
  
     665.87  666.91
     676.06  677.10
   
      -1373.08584584 
      -1372.94417190 
      -1373.03862119 
   
  
  
     684.89  685.90
     695.07  696.08
   
      -1373.08796290 
      -1372.92104002 
      -1373.03232194 
   
  
  
     677.38  678.43
     687.58  688.62
   
      -1373.08614077 
      -1372.94068415 
      -1373.03765523 
   
  
  
     670.45  671.47
     680.69  681.70
   
      -1373.08604525 
      -1372.94146621 
      -1373.03785224