vasp 
  6.1.1  
  19Jun20 (build Jun 25 2020 02:42:34) complex                          parallel 
  Lin64 
  2021 06 20 
  20:39:01 
 
 
   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 
   
  
  
          0.06286199       0.13060980       0.60226840 
          0.18762428       0.12529737       0.40477112 
          0.06262428       0.12529737       0.33897707 
          0.18981131       0.13352101       0.66888370 
          0.06227008       0.99958108       0.53884631 
          0.18762428       0.00029737       0.46980373 
          0.06262428       0.00029737       0.27313426 
          0.13330887       0.00356241       0.70863154 
          0.06288150       0.37501685       0.60613674 
          0.18762428       0.37529737       0.40477112 
          0.06262428       0.37529737       0.33897707 
          0.19317280       0.36666707       0.66895421 
          0.06265422       0.25396552       0.53521169 
          0.18762428       0.25029737       0.46980373 
          0.06262428       0.25029737       0.27313426 
          0.22955428       0.24964049       0.73827401 
          0.05856630       0.62570056       0.60674676 
          0.18762428       0.62529737       0.40477112 
          0.06262428       0.62529737       0.33897707 
          0.19095316       0.62347681       0.66544060 
          0.06195785       0.50043931       0.53946301 
          0.18762428       0.50029737       0.46980373 
          0.06262428       0.50029737       0.27313426 
          0.25694036       0.49636441       0.70126707 
          0.05992899       0.86802142       0.60140597 
          0.18762428       0.87529737       0.40477112 
          0.06262428       0.87529737       0.33897707 
          0.18640315       0.87433298       0.66573033 
          0.06221704       0.74545528       0.53530323 
          0.18762428       0.75029737       0.46980373 
          0.06262428       0.75029737       0.27313426 
          0.25740147       0.74924389       0.70253683 
          0.31156146       0.11945594       0.60042003 
          0.43762428       0.12529737       0.40477112 
          0.31262428       0.12529737       0.33897707 
          0.43903156       0.12494495       0.66433403 
          0.31238202       0.00073768       0.53161301 
          0.43762428       0.00029737       0.46980373 
          0.31262428       0.00029737       0.27313426 
          0.49985574       0.99639240       0.70460031 
          0.31278625       0.37440044       0.59583681 
          0.43762428       0.37529737       0.40477112 
          0.31262428       0.37529737       0.33897707 
          0.43336296       0.38377341       0.66761616 
          0.31219995       0.24613749       0.53481182 
          0.43762428       0.25029737       0.46980373 
          0.31262428       0.25029737       0.27313426 
          0.37468129       0.25304182       0.70285056 
          0.31572663       0.62631976       0.59502674 
          0.43762428       0.62529737       0.40477112 
          0.31262428       0.62529737       0.33897707 
          0.43122109       0.62447123       0.66921966 
          0.31288256       0.50013556       0.53209507 
          0.43762428       0.50029737       0.46980373 
          0.31262428       0.50029737       0.27313426 
          0.40102625       0.50224353       0.73635875 
          0.31332134       0.88142978       0.60026217 
          0.43762428       0.87529737       0.40477112 
          0.31262428       0.87529737       0.33897707 
          0.43599018       0.86760277       0.66784737 
          0.31286897       0.75464037       0.53458141 
          0.43762428       0.75029737       0.46980373 
          0.31262428       0.75029737       0.27313426 
          0.40224072       0.74804324       0.73466614 
          0.56400782       0.13159888       0.59873463 
          0.68762428       0.12529737       0.40477112 
          0.56262428       0.12529737       0.33897707 
          0.68453206       0.11799708       0.66778142 
          0.56310102       0.99912073       0.53819674 
          0.68762428       0.00029737       0.46980373 
          0.56262428       0.00029737       0.27313426 
          0.64516365       0.99946978       0.73391397 
          0.56260756       0.37754155       0.60499940 
          0.68762428       0.37529737       0.40477112 
          0.56262428       0.37529737       0.33897707 
          0.69281348       0.38309014       0.66652452 
          0.56287050       0.25592083       0.53485576 
          0.68762428       0.25029737       0.46980373 
          0.56262428       0.25029737       0.27313426 
          0.74697259       0.24921126       0.70104849 
          0.56413754       0.62598217       0.60979646 
          0.68762428       0.62529737       0.40477112 
          0.56262428       0.62529737       0.33897707 
          0.69261479       0.62840819       0.67569103 
          0.56296700       0.50310610       0.53903802 
          0.68762428       0.50029737       0.46980373 
          0.56262428       0.50029737       0.27313426 
          0.72720679       0.50115631       0.73504999 
          0.56473511       0.86915556       0.60307544 
          0.68762428       0.87529737       0.40477112 
          0.56262428       0.87529737       0.33897707 
          0.68597604       0.87433930       0.67426495 
          0.56273581       0.74581631       0.53644887 
          0.68762428       0.75029737       0.46980373 
          0.56262428       0.75029737       0.27313426 
          0.72746290       0.75349351       0.74182615 
          0.81267432       0.11860740       0.60208684 
          0.93762428       0.12529737       0.40477112 
          0.81262428       0.12529737       0.33897707 
          0.93719595       0.12892190       0.66888781 
          0.81227044       0.99756640       0.53405253 
          0.93762428       0.00029737       0.46980373 
          0.81262428       0.00029737       0.27313426 
          0.98557185       0.00140411       0.71926518 
          0.81194028       0.37531643       0.59425577 
          0.93762428       0.37529737       0.40477112 
          0.81262428       0.37529737       0.33897707 
          0.93120621       0.37055310       0.66669948 
          0.81267262       0.24535636       0.53522012 
          0.93762428       0.25029737       0.46980373 
          0.81262428       0.25029737       0.27313426 
          0.89228367       0.24994519       0.73053683 
          0.81015969       0.63070878       0.60202480 
          0.93762428       0.62529737       0.40477112 
          0.81262428       0.62529737       0.33897707 
          0.93163324       0.63456179       0.67497756 
          0.81220308       0.50520442       0.53478363 
          0.93762428       0.50029737       0.46980373 
          0.81262428       0.50029737       0.27313426 
          0.87136860       0.50115385       0.70254380 
          0.80994285       0.88004958       0.60517480 
          0.93762428       0.87529737       0.40477112 
          0.81262428       0.87529737       0.33897707 
          0.93585151       0.87322856       0.67084198 
          0.81258213       0.75554279       0.53651319 
          0.93762428       0.75029737       0.46980373 
          0.81262428       0.75029737       0.27313426 
          0.88258510       0.75748735       0.73339558 
          0.72372274       0.74520171       0.86365231 
          0.76831205       0.66194296       0.88406726 
          0.62973374       0.74024204       0.88052097 
          0.89076800       0.76725158       0.80738751 
          0.76067768       0.81340009       0.91000675 
  
 
 
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        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 
   
  
  
          0.06286199       0.13060980       0.60226840 
          0.18762428       0.12529737       0.40477112 
          0.06262428       0.12529737       0.33897707 
          0.18981131       0.13352101       0.66888370 
          0.06227008       0.99958108       0.53884631 
          0.18762428       0.00029737       0.46980373 
          0.06262428       0.00029737       0.27313426 
          0.13330887       0.00356241       0.70863154 
          0.06288150       0.37501685       0.60613674 
          0.18762428       0.37529737       0.40477112 
          0.06262428       0.37529737       0.33897707 
          0.19317280       0.36666707       0.66895421 
          0.06265422       0.25396552       0.53521169 
          0.18762428       0.25029737       0.46980373 
          0.06262428       0.25029737       0.27313426 
          0.22955428       0.24964049       0.73827401 
          0.05856630       0.62570056       0.60674676 
          0.18762428       0.62529737       0.40477112 
          0.06262428       0.62529737       0.33897707 
          0.19095316       0.62347681       0.66544060 
          0.06195785       0.50043931       0.53946301 
          0.18762428       0.50029737       0.46980373 
          0.06262428       0.50029737       0.27313426 
          0.25694036       0.49636441       0.70126707 
          0.05992899       0.86802142       0.60140597 
          0.18762428       0.87529737       0.40477112 
          0.06262428       0.87529737       0.33897707 
          0.18640315       0.87433298       0.66573033 
          0.06221704       0.74545528       0.53530323 
          0.18762428       0.75029737       0.46980373 
          0.06262428       0.75029737       0.27313426 
          0.25740147       0.74924389       0.70253683 
          0.31156146       0.11945594       0.60042003 
          0.43762428       0.12529737       0.40477112 
          0.31262428       0.12529737       0.33897707 
          0.43903156       0.12494495       0.66433403 
          0.31238202       0.00073768       0.53161301 
          0.43762428       0.00029737       0.46980373 
          0.31262428       0.00029737       0.27313426 
          0.49985574       0.99639240       0.70460031 
          0.31278625       0.37440044       0.59583681 
          0.43762428       0.37529737       0.40477112 
          0.31262428       0.37529737       0.33897707 
          0.43336296       0.38377341       0.66761616 
          0.31219995       0.24613749       0.53481182 
          0.43762428       0.25029737       0.46980373 
          0.31262428       0.25029737       0.27313426 
          0.37468129       0.25304182       0.70285056 
          0.31572663       0.62631976       0.59502674 
          0.43762428       0.62529737       0.40477112 
          0.31262428       0.62529737       0.33897707 
          0.43122109       0.62447123       0.66921966 
          0.31288256       0.50013556       0.53209507 
          0.43762428       0.50029737       0.46980373 
          0.31262428       0.50029737       0.27313426 
          0.40102625       0.50224353       0.73635875 
          0.31332134       0.88142978       0.60026217 
          0.43762428       0.87529737       0.40477112 
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          0.68762428       0.87529737       0.40477112 
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          0.89076800       0.76725158       0.80738751 
          0.76067768       0.81340009       0.91000675 
  
  
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
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     T  T  T 
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     F  F  F 
     T  T  T 
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     F  F  F 
     T  T  T 
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     T  T  T 
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     T  T  T 
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     T  T  T 
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     F  F  F 
     T  T  T 
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     F  F  F 
     T  T  T 
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     F  F  F 
     F  F  F 
     T  T  T 
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     F  F  F 
     T  T  T 
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
       9.36    9.56
      11.28   11.49
   
        115.70992877 
      25646.77147429 
     -38214.21060467 
      -1214.49544795 
      11376.50626006 
      -9107.00841578 
         -0.01013912 
       -418.72155016 
      13344.57217335 
       1529.11367880 
       1529.12381792 
       1529.11705850 
   
  
  
      13.47   13.50
      13.47   13.50
   
       -497.90701384 
       -497.95979477 
       -497.92460749 
   
  
  
      13.16   13.19
      13.16   13.20
   
       -666.53440682 
       -666.28660795 
       -666.45180719 
   
  
  
      15.38   15.40
      15.38   15.40
   
       -674.79779554 
       -674.53520332 
       -674.71026480