vasp 
  6.1.1  
  19Jun20 (build Jun 25 2020 02:42:34) complex                          parallel 
  Lin64 
  2021 06 20 
  09:02:44 
 
 
   No title
       0
   Normal
   Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      250.00000000
        1.11000000      0.32000000
   Auto
       1
        0.20000000
       1
   F  
   F  
       4
   Normal (blocked Davidson)
      60
       1
        0.00001000
       1
 
 
  
   
          15.36108000       0.00000000       0.00000000 
           0.00000000      15.36108000       0.00000000 
           0.00000000       0.00000000      20.86192000 
   
      4922.63661360 
   
           0.06509959       0.00000000       0.00000000 
           0.00000000       0.06509959       0.00000000 
           0.00000000       0.00000000       0.04793423 
   
  
  
          0.06385271       0.13067776       0.60013158 
          0.18752071       0.12504956       0.40272415 
          0.06252071       0.12504956       0.33693010 
          0.19051850       0.13314316       0.66718990 
          0.06259393       0.00026691       0.53614356 
          0.18752071       0.00004956       0.46775676 
          0.06252071       0.00004956       0.27108729 
          0.12841652       0.00426539       0.70493548 
          0.06526579       0.37472635       0.60368323 
          0.18752071       0.37504956       0.40272415 
          0.06252071       0.37504956       0.33693010 
          0.19383428       0.36609975       0.66792906 
          0.06268102       0.25321768       0.53337771 
          0.18752071       0.25004956       0.46775676 
          0.06252071       0.25004956       0.27108729 
          0.22893021       0.24882789       0.73775220 
          0.06292554       0.62357508       0.60163156 
          0.18752071       0.62504956       0.40272415 
          0.06252071       0.62504956       0.33693010 
          0.19186780       0.62292215       0.66429240 
          0.06286376       0.49854713       0.53588670 
          0.18752071       0.50004956       0.46775676 
          0.06252071       0.50004956       0.27108729 
          0.25737427       0.49561538       0.70076321 
          0.06203263       0.86864897       0.59806817 
          0.18752071       0.87504956       0.40272415 
          0.06252071       0.87504956       0.33693010 
          0.18720591       0.87564575       0.66373978 
          0.06240538       0.74579765       0.53261640 
          0.18752071       0.75004956       0.46775676 
          0.06252071       0.75004956       0.27108729 
          0.25657058       0.75004082       0.70096168 
          0.31132773       0.11937965       0.59826697 
          0.43752071       0.12504956       0.40272415 
          0.31252071       0.12504956       0.33693010 
          0.43816346       0.12437521       0.66272195 
          0.31233306       0.00073521       0.52976488 
          0.43752071       0.00004956       0.46775676 
          0.31252071       0.00004956       0.27108729 
          0.49952971       0.99640116       0.70422423 
          0.31267405       0.37421380       0.59422037 
          0.43752071       0.37504956       0.40272415 
          0.31252071       0.37504956       0.33693010 
          0.43284988       0.38355847       0.66642736 
          0.31210652       0.24621015       0.53289467 
          0.43752071       0.25004956       0.46775676 
          0.31252071       0.25004956       0.27108729 
          0.37424651       0.25254629       0.70163812 
          0.31587254       0.62618450       0.59344327 
          0.43752071       0.62504956       0.40272415 
          0.31252071       0.62504956       0.33693010 
          0.43021460       0.62333921       0.66817701 
          0.31272071       0.49997681       0.53046531 
          0.43752071       0.50004956       0.46775676 
          0.31252071       0.50004956       0.27108729 
          0.40123835       0.50155318       0.73634615 
          0.31349144       0.88133404       0.59830225 
          0.43752071       0.87504956       0.40272415 
          0.31252071       0.87504956       0.33693010 
          0.43542507       0.86820861       0.66634347 
          0.31278909       0.75427051       0.53284945 
          0.43752071       0.75004956       0.46775676 
          0.31252071       0.75004956       0.27108729 
          0.40128182       0.74807039       0.73303678 
          0.56358521       0.13118794       0.59737877 
          0.68752071       0.12504956       0.40272415 
          0.56252071       0.12504956       0.33693010 
          0.68276758       0.11551385       0.66761928 
          0.56246121       0.00012884       0.53565533 
          0.68752071       0.00004956       0.46775676 
          0.56252071       0.00004956       0.27108729 
          0.64468260       0.00031621       0.73836138 
          0.56229781       0.37704393       0.60369457 
          0.68752071       0.37504956       0.40272415 
          0.56252071       0.37504956       0.33693010 
          0.69277067       0.38342520       0.66527473 
          0.56280407       0.25536454       0.53333873 
          0.68752071       0.25004956       0.46775676 
          0.56252071       0.25004956       0.27108729 
          0.73743333       0.24828152       0.70278384 
          0.56066968       0.62417581       0.60531199 
          0.68752071       0.62504956       0.40272415 
          0.56252071       0.62504956       0.33693010 
          0.69248754       0.61718103       0.66551520 
          0.56210398       0.50113866       0.53622885 
          0.68752071       0.50004956       0.46775676 
          0.56252071       0.50004956       0.27108729 
          0.72324535       0.50003337       0.73802234 
          0.56190102       0.86993427       0.59923016 
          0.68752071       0.87504956       0.40272415 
          0.56252071       0.87504956       0.33693010 
          0.68298239       0.88411897       0.66837267 
          0.56247851       0.74559559       0.53412009 
          0.68752071       0.75004956       0.46775676 
          0.56252071       0.75004956       0.27108729 
          0.73436453       0.75137363       0.70695947 
          0.81241457       0.11956834       0.60347228 
          0.93752071       0.12504956       0.40272415 
          0.81252071       0.12504956       0.33693010 
          0.94147352       0.11779039       0.66802790 
          0.81280777       0.00009734       0.53117127 
          0.93752071       0.00004956       0.46775676 
          0.81252071       0.00004956       0.27108729 
          0.98220568       0.99979297       0.73472048 
          0.81089409       0.37366149       0.59261965 
          0.93752071       0.37504956       0.40272415 
          0.81252071       0.37504956       0.33693010 
          0.93373556       0.37160308       0.66340227 
          0.81273050       0.24382748       0.53348173 
          0.93752071       0.25004956       0.46775676 
          0.81252071       0.25004956       0.27108729 
          0.88607199       0.24563006       0.71340367 
          0.80999031       0.62674644       0.59250836 
          0.93752071       0.62504956       0.40272415 
          0.81252071       0.62504956       0.33693010 
          0.93296842       0.62612059       0.66290793 
          0.81234936       0.50013726       0.52999698 
          0.93752071       0.50004956       0.46775676 
          0.81252071       0.50004956       0.27108729 
          0.86630351       0.49871792       0.69894937 
          0.81206361       0.88039434       0.60363742 
          0.93752071       0.87504956       0.40272415 
          0.81252071       0.87504956       0.33693010 
          0.94189177       0.88254086       0.66768182 
          0.81248322       0.75641902       0.53344450 
          0.93752071       0.75004956       0.46775676 
          0.81252071       0.75004956       0.27108729 
          0.88305797       0.75415594       0.70833413 
          0.75838055       0.75800987       0.92364320 
          0.79415422       0.66914990       0.91330789 
          0.66609963       0.76080463       0.89897113 
          0.81646262       0.82098712       0.89067828 
          0.75498466       0.78069050       0.99420380 
  
 
 
          1 
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        132 
        133 
 
 
  
          1        1        1 
         0.00000000       0.00000000       0.00000000 
         1.00000000       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 
  
  
          1.00000000 
  
 
 
  
   No title
    F  
  
  
   normal
       250.00000000
       400.00000000
         0.00001000
       38
       10
      328
       -1
       -1
       520.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -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
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
        60
        -5
         2
        250.00000000
    
      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
   
  
  
       60
       60
       84
      120
      120
      168
    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      0.32000000
      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
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000      1.00000000
         0.00000000      0.00000000
         1.00000000      1.00000000
    T  
  
   T  
   F  
       0
   F  
       0
  
   --
        1
    F  
   
    F  
    F  
    F  
    F  
    F  
        -1.00000000
        0
        0
         0.00000000
         0.00000000
         0.00000000
         1.00000000
         1.00000000
         1.00000000
         1.00000000
        1
        1
        1
    F  
    F  
    F  
        0
        0
    F  
         0.00000000
         0.00000000
        0
  
  
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
        22.20738322
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
        -1.00000000
         0.00200000
        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
    F  
         0.00000000      0.00000000      0.00000000
    T  
    F  
    F  
    F  
    T  
        0
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000
  
  
    F  
    F  
    F  
    F  
    T  
        0
       -1     0     0     0
    F  
    F  
    F  
    F  
    F  
    F  
        2
    F  
    F  
    F  
    F  
    F  
    F  
        -2.00000000
        -2.00000000
        -1.00000000
    F  
       -1
         0.00000000
        0
        0
       -1
       -1
       -1
       60
        1
        3
        4
        0
       -30.00000000
       -30.00000000
      -200.00000000
        0
        -0.10000000
    F  
    F  
    F  
    F  
    F  
    F  
    F  
        1
        1
        1
     2800
        0
       -1
       -1
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
       133 
         2 
  
   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
    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
    H    2
    H    2
    H    2
    H    2
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
     129Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       4H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          15.36108000       0.00000000       0.00000000 
           0.00000000      15.36108000       0.00000000 
           0.00000000       0.00000000      20.86192000 
   
      4922.63661360 
   
           0.06509959       0.00000000       0.00000000 
           0.00000000       0.06509959       0.00000000 
           0.00000000       0.00000000       0.04793423 
   
  
  
          0.06385271       0.13067776       0.60013158 
          0.18752071       0.12504956       0.40272415 
          0.06252071       0.12504956       0.33693010 
          0.19051850       0.13314316       0.66718990 
          0.06259393       0.00026691       0.53614356 
          0.18752071       0.00004956       0.46775676 
          0.06252071       0.00004956       0.27108729 
          0.12841652       0.00426539       0.70493548 
          0.06526579       0.37472635       0.60368323 
          0.18752071       0.37504956       0.40272415 
          0.06252071       0.37504956       0.33693010 
          0.19383428       0.36609975       0.66792906 
          0.06268102       0.25321768       0.53337771 
          0.18752071       0.25004956       0.46775676 
          0.06252071       0.25004956       0.27108729 
          0.22893021       0.24882789       0.73775220 
          0.06292554       0.62357508       0.60163156 
          0.18752071       0.62504956       0.40272415 
          0.06252071       0.62504956       0.33693010 
          0.19186780       0.62292215       0.66429240 
          0.06286376       0.49854713       0.53588670 
          0.18752071       0.50004956       0.46775676 
          0.06252071       0.50004956       0.27108729 
          0.25737427       0.49561538       0.70076321 
          0.06203263       0.86864897       0.59806817 
          0.18752071       0.87504956       0.40272415 
          0.06252071       0.87504956       0.33693010 
          0.18720591       0.87564575       0.66373978 
          0.06240538       0.74579765       0.53261640 
          0.18752071       0.75004956       0.46775676 
          0.06252071       0.75004956       0.27108729 
          0.25657058       0.75004082       0.70096168 
          0.31132773       0.11937965       0.59826697 
          0.43752071       0.12504956       0.40272415 
          0.31252071       0.12504956       0.33693010 
          0.43816346       0.12437521       0.66272195 
          0.31233306       0.00073521       0.52976488 
          0.43752071       0.00004956       0.46775676 
          0.31252071       0.00004956       0.27108729 
          0.49952971       0.99640116       0.70422423 
          0.31267405       0.37421380       0.59422037 
          0.43752071       0.37504956       0.40272415 
          0.31252071       0.37504956       0.33693010 
          0.43284988       0.38355847       0.66642736 
          0.31210652       0.24621015       0.53289467 
          0.43752071       0.25004956       0.46775676 
          0.31252071       0.25004956       0.27108729 
          0.37424651       0.25254629       0.70163812 
          0.31587254       0.62618450       0.59344327 
          0.43752071       0.62504956       0.40272415 
          0.31252071       0.62504956       0.33693010 
          0.43021460       0.62333921       0.66817701 
          0.31272071       0.49997681       0.53046531 
          0.43752071       0.50004956       0.46775676 
          0.31252071       0.50004956       0.27108729 
          0.40123835       0.50155318       0.73634615 
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          0.66609963       0.76080463       0.89897113 
          0.81646262       0.82098712       0.89067828 
          0.75498466       0.78069050       0.99420380 
  
  
     T  T  T 
     F  F  F 
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
       8.66   13.92
      10.13   15.41
   
        115.70992877 
      25530.66877620 
     -38093.02612354 
      -1214.39441259 
      11376.50626006 
      -9107.00841578 
          0.01464794 
       -424.34269065 
      13344.57217335 
       1528.70014376 
       1528.68549582 
       1528.69526112 
   
  
  
      17.71   29.91
      17.73   30.04
   
       -494.36611149 
       -494.37175444 
       -494.36799248 
   
  
  
      14.73   36.03
      14.77   36.10
   
       -665.40475209 
       -665.28920890 
       -665.36623770 
   
  
  
      16.48   37.76
      16.49   37.79
   
       -674.34598811 
       -674.22643060 
       -674.30613561 
   
  
  
       7.27   26.51
       7.67   28.96
   
       -674.57928196 
       -674.45819049 
       -674.53891814 
   
  
  
       8.45   14.74
      10.99   23.38
   
       -660.97683165 
       -660.90514233 
       -660.95293521 
   
  
  
      11.19   20.52
      14.46   29.82
   
       -657.34707520 
       -657.45771986 
       -657.38395676 
   
  
  
       9.30   25.19
      11.85   31.87
   
       -657.47782728 
       -657.46990095 
       -657.47518517 
   
  
  
      13.11   27.29
      15.26   33.57
   
       -657.16419748 
       -657.22022419 
       -657.18287305 
   
  
  
       9.91   15.97
      11.05   24.12
   
       -657.11272352 
       -657.16273590 
       -657.12939431 
   
  
  
      17.52   32.96
      19.70   36.10
   
       -657.09242120 
       -657.09330619 
       -657.09271619 
   
  
  
      10.97   23.88
      12.68   28.60
   
       -657.09306156 
       -657.11864911 
       -657.10159074 
   
  
  
      18.66   24.40
      20.50   29.74
   
       -657.08872426 
       -657.11427468 
       -657.09724106 
   
  
  
      14.66   36.55
      16.92   43.87
   
       -657.08738528 
       -657.10249973 
       -657.09242343 
   
  
  
       8.28   16.13
       9.88   19.90
   
       -657.08761818 
       -657.10832104 
       -657.09451913