vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 01 18 
  14:58:11 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.32000000      0.75000000      0.77000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.73386000       0.00000000       0.00000000 
            0.00000000      28.46772000       0.00000000 
            0.00000000       0.00000000      16.40601000 
    
       3612.03511421 
    
            0.12930154       0.00000000       0.00000000 
            0.00000000       0.03512751       0.00000000 
            0.00000000       0.00000000       0.06095327 
    
   
   
           0.99748684       0.36845953       0.26891646 
           0.99748684       0.43637734       0.18558312 
           0.24748684       0.36845953       0.35224979 
           0.24748684       0.43637734       0.10224979 
           0.70173245       0.91895984       0.84759665 
           0.78053662       0.20156000       0.08130169 
           0.09732992       0.60852749       0.64971897 
           0.77657171       0.19389414       0.05915238 
           0.90882502       0.24353078       0.33356740 
           0.46363887       0.76372666       0.50489999 
           0.16266668       0.21587834       0.31525260 
           0.47250940       0.59279658       0.45349023 
           0.99748684       0.50429514       0.26891646 
           0.99748684       0.30054173       0.18558312 
           0.24748684       0.50429514       0.35224979 
           0.24748684       0.30054173       0.10224979 
           0.99748684       0.36845953       0.60224979 
           0.99748684       0.43637734       0.51891646 
           0.24748684       0.36845953       0.68558312 
           0.24748684       0.43637734       0.43558312 
           0.85042843       0.53295612       0.22151089 
           0.55529955       0.17393527       0.39952233 
           0.22013144       0.03032138       0.49613892 
           0.82872867       0.17241740       0.38795596 
           0.83811319       0.21661316       0.64690244 
           0.99417863       0.44723989       0.27145126 
           0.04856818       0.23641678       0.58440058 
           0.04877024       0.52825638       0.80570759 
           0.99748684       0.50429514       0.60224979 
           0.99748684       0.30054173       0.51891646 
           0.24748684       0.50429514       0.68558312 
           0.24748684       0.30054173       0.43558312 
           0.99748684       0.36845953       0.93558312 
           0.99748684       0.43637734       0.85224979 
           0.24748684       0.36845953       0.01891646 
           0.24748684       0.43637734       0.76891646 
           0.30880183       0.71810775       0.17499661 
           0.57069078       0.16539374       0.74256581 
           0.48236924       0.61849752       0.11813398 
           0.87598171       0.17094864       0.75834646 
           0.95403402       0.22348284       0.97274703 
           0.75184879       0.59592489       0.61279461 
           0.25892102       0.24665076       0.95856996 
           0.04191053       0.67366808       0.85909736 
           0.99748684       0.50429514       0.93558312 
           0.99748684       0.30054173       0.85224979 
           0.24748684       0.50429514       0.01891646 
           0.24748684       0.30054173       0.76891646 
           0.49748684       0.36845953       0.26891646 
           0.49748684       0.43637734       0.18558312 
           0.74748684       0.36845953       0.35224979 
           0.74748684       0.43637734       0.10224979 
           0.98378649       0.72801810       0.53352764 
           0.27416353       0.19629898       0.08321555 
           0.37859388       0.50731524       0.24668819 
           0.28338598       0.19096111       0.06502304 
           0.40301848       0.23932267       0.32465274 
           0.79636871       0.66686806       0.33898123 
           0.64623445       0.21599546       0.31583683 
           0.09584789       0.58771415       0.47936328 
           0.49748684       0.50429514       0.26891646 
           0.49748684       0.30054173       0.18558312 
           0.74748684       0.50429514       0.35224979 
           0.74748684       0.30054173       0.10224979 
           0.49748684       0.36845953       0.60224979 
           0.49748684       0.43637734       0.51891646 
           0.74748684       0.36845953       0.68558312 
           0.74748684       0.43637734       0.43558312 
           0.07467134       0.03968571       0.75692285 
           0.05193924       0.18804911       0.36011104 
           0.09792181       0.55062879       0.15432583 
           0.28333159       0.18053352       0.38182763 
           0.34888342       0.22946991       0.68278698 
           0.62421887       0.12142730       0.75841955 
           0.59276906       0.23528709       0.59241103 
           0.51662493       0.52614150       0.82858650 
           0.49748684       0.50429514       0.60224979 
           0.49748684       0.30054173       0.51891646 
           0.74748684       0.50429514       0.68558312 
           0.74748684       0.30054173       0.43558312 
           0.49748684       0.36845953       0.93558312 
           0.49748684       0.43637734       0.85224979 
           0.74748684       0.36845953       0.01891646 
           0.74748684       0.43637734       0.76891646 
           0.70574398       0.80908652       0.03042910 
           0.08408956       0.17009434       0.73785402 
           0.88598296       0.61645915       0.96793576 
           0.36009001       0.15534897       0.74880547 
           0.46929264       0.22129543       0.97636765 
           0.47111847       0.59731549       0.87817085 
           0.75137024       0.24965952       0.95479894 
           0.81533370       0.34443608       0.29377420 
           0.49748684       0.50429514       0.93558312 
           0.49748684       0.30054173       0.85224979 
           0.74748684       0.50429514       0.01891646 
           0.74748684       0.30054173       0.76891646 
           0.38899009       0.97940589       0.97342804 
           0.52887935       0.19156671       0.25464175 
           0.73407532       0.20134267       0.79238253 
           0.49452751       0.17939963       0.66330382 
           0.76224285       0.20677162       0.11373018 
           0.53560822       0.18797968       0.97972206 
           0.72704025       0.21862210       0.45737589 
           0.02521848       0.18493457       0.26146558 
           0.22756552       0.20199183       0.78908459 
           0.01543513       0.18178094       0.66072074 
           0.27255835       0.21767890       0.11773872 
           0.04076465       0.18606329       0.97918146 
           0.22162379       0.18586029       0.47158713 
           0.28518563       0.96257714       0.71021874 
           0.57602833       0.35959109       0.54580954 
           0.63812991       0.72876014       0.77094113 
           0.68427837       0.06940118       0.71014904 
           0.31645642       0.72760800       0.21002028 
           0.42499337       0.68899881       0.40208794 
           0.38945901       0.77588425       0.44610370 
           0.37526951       0.65362972       0.40128479 
           0.79035421       0.26782285       0.39093941 
           0.71662265       0.62067500       0.30367497 
           0.43013422       0.64986091       0.66812507 
           0.13615867       0.68737897       0.17106227 
           0.42725451       0.18170777       0.20364930 
           0.70335305       0.21516645       0.85618849 
           0.35758902       0.14861106       0.55350204 
           0.68195729       0.18414957       0.18704965 
           0.46631283       0.16570425       0.89126656 
           0.62180813       0.18987416       0.53503794 
           0.93241058       0.17700546       0.20479796 
           0.21069024       0.21454712       0.85538275 
           0.86781848       0.15001791       0.53906465 
           0.17443176       0.19047012       0.18551733 
           0.96509354       0.16276590       0.89113822 
           0.11457597       0.17457733       0.52626483 
           0.66339047       0.85369755       0.58228842 
           0.43396263       0.85016162       0.96257040 
           0.21849370       0.74473987       0.87993857 
           0.44078502       0.94706406       0.72993575 
           0.04784112       0.65896049       0.09311604 
           0.22811898       0.85250147       0.11658980 
           0.58734096       0.78561133       0.40719736 
           0.82188058       0.05594618       0.68258591 
           0.31541379       0.27661494       0.51936538 
           0.25806332       0.08153272       0.56154019 
           0.77035036       0.90876305       0.07165715 
           0.99208442       0.78331934       0.96921750 
           0.49935046       0.86215874       0.61088832 
           0.47044262       0.35479374       0.40586910 
           0.52600763       0.72842137       0.57235755 
           0.22103374       0.77277291       0.27868004 
           0.51738673       0.76105969       0.40167560 
           0.78184612       0.00190101       0.01580858 
           0.63920012       0.66017145       0.33167134 
           0.62091519       0.60514688       0.77107298 
           0.35765533       0.45566933       0.47011584 
           0.50616115       0.23374176       0.15902952 
           0.38737524       0.46381160       0.95560433 
           0.23848353       0.28880644       0.45730685 
           0.27946912       0.89315140       0.18063043 
           0.16763274       0.95873470       0.92035672 
           0.99464345       0.79339435       0.10925992 
           0.99084935       0.38607995       0.81429805 
           0.30991971       0.03238493       0.15854725 
           0.22130075       0.57434091       0.63816657 
           0.29910592       0.55067476       0.41224817 
           0.94701904       0.19436448       0.43390841 
   
  
  
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         165 
  
 
 
  
          2        1        1 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
  
  
          0.50000000 
          0.50000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
      381
       -1
       -1
       596.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         1
     F  
          1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
       200
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000001
           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
   
  
  
       40
      140
       80
       80
      280
      160
    F  
  
  
        0
       -1
        0
        2
         0.00000000
        -0.02000000
        0
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      0.73000000      0.32000000      0.75000000      0.77000000
      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  
        28.08500000     16.00000000      1.00000000     14.00100000     12.01100000
         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
        13.13467314
         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
      200
        1
        3
        4
        0
       -30.00000000
       -30.00000000
      -200.00000000
        0
        -0.10000000
    F  
    F  
    F  
    F  
    F  
    F  
    F  
        1
        1
        1
     2800
        0
       -1
       -1
         0.80000001
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
       165 
         5 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    N    4
    N    4
    C    5
    C    5
    C    5
    C    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      97Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      24O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      38H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       2N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
       4C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
   
  
 
 
  
   
           7.73386000       0.00000000       0.00000000 
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