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 
   
  
  
          0.06389398       0.13058125       0.60187271 
          0.18758286       0.12519825       0.40395233 
          0.06258286       0.12519825       0.33815828 
          0.19025421       0.13327400       0.66881387 
          0.06263837       0.00078880       0.53746141 
          0.18758286       0.00019825       0.46898494 
          0.06258286       0.00019825       0.27231547 
          0.13563597       0.00353867       0.71114559 
          0.06433253       0.37452292       0.60553848 
          0.18758286       0.37519825       0.40395233 
          0.06258286       0.37519825       0.33815828 
          0.19374026       0.36621260       0.66893979 
          0.06284409       0.25348973       0.53475156 
          0.18758286       0.25019825       0.46898494 
          0.06258286       0.25019825       0.27231547 
          0.22919333       0.24917566       0.73853364 
          0.06276977       0.62363607       0.60290725 
          0.18758286       0.62519825       0.40395233 
          0.06258286       0.62519825       0.33815828 
          0.19174144       0.62325652       0.66540524 
          0.06283065       0.49834959       0.53744178 
          0.18758286       0.50019825       0.46898494 
          0.06258286       0.50019825       0.27231547 
          0.25707966       0.49588921       0.70150999 
          0.06262088       0.86903887       0.59897313 
          0.18758286       0.87519825       0.40395233 
          0.06258286       0.87519825       0.33815828 
          0.18675858       0.87543225       0.66537005 
          0.06260073       0.74563791       0.53392938 
          0.18758286       0.75019825       0.46898494 
          0.06258286       0.75019825       0.27231547 
          0.25668636       0.75005789       0.70217640 
          0.31159296       0.11967156       0.59996628 
          0.43758286       0.12519825       0.40395233 
          0.31258286       0.12519825       0.33815828 
          0.43874554       0.12521755       0.66414013 
          0.31235175       0.00090128       0.53124465 
          0.43758286       0.00019825       0.46898494 
          0.31258286       0.00019825       0.27231547 
          0.49976969       0.99688469       0.70489473 
          0.31306027       0.37457340       0.59553872 
          0.43758286       0.37519825       0.40395233 
          0.31258286       0.37519825       0.33815828 
          0.43349867       0.38370841       0.66758614 
          0.31211656       0.24637423       0.53432942 
          0.43758286       0.25019825       0.46898494 
          0.31258286       0.25019825       0.27231547 
          0.37441674       0.25308970       0.70298103 
          0.31605936       0.62647188       0.59485116 
          0.43758286       0.62519825       0.40395233 
          0.31258286       0.62519825       0.33815828 
          0.43085678       0.62399573       0.66930633 
          0.31284165       0.50035063       0.53171576 
          0.43758286       0.50019825       0.46898494 
          0.31258286       0.50019825       0.27231547 
          0.40108391       0.50191483       0.73681906 
          0.31350379       0.88159688       0.60002207 
          0.43758286       0.87519825       0.40395233 
          0.31258286       0.87519825       0.33815828 
          0.43567212       0.86822454       0.66791470 
          0.31283375       0.75465724       0.53426390 
          0.43758286       0.75019825       0.46898494 
          0.31258286       0.75019825       0.27231547 
          0.40146174       0.74815083       0.73467610 
          0.56413628       0.13191143       0.59884696 
          0.68758286       0.12519825       0.40395233 
          0.56258286       0.12519825       0.33815828 
          0.68425967       0.11779869       0.66853007 
          0.56259989       0.00038931       0.53726294 
          0.68758286       0.00019825       0.46898494 
          0.56258286       0.00019825       0.27231547 
          0.64554491       0.99954712       0.73587968 
          0.56318926       0.37720299       0.60516350 
          0.68758286       0.37519825       0.40395233 
          0.56258286       0.37519825       0.33815828 
          0.69330828       0.38290150       0.66717321 
          0.56283345       0.25588329       0.53454219 
          0.68758286       0.25019825       0.46898494 
          0.56258286       0.25019825       0.27231547 
          0.74429930       0.24911932       0.70314968 
          0.56144895       0.62467561       0.60674696 
          0.68758286       0.62519825       0.40395233 
          0.56258286       0.62519825       0.33815828 
          0.69274820       0.62054571       0.66760396 
          0.56222019       0.50145055       0.53770674 
          0.68758286       0.50019825       0.46898494 
          0.56258286       0.50019825       0.27231547 
          0.72512347       0.50094641       0.73740700 
          0.56222197       0.87010159       0.60071525 
          0.68758286       0.87519825       0.40395233 
          0.56258286       0.87519825       0.33815828 
          0.68438321       0.87940626       0.66923498 
          0.56250519       0.74589977       0.53539172 
          0.68758286       0.75019825       0.46898494 
          0.56258286       0.75019825       0.27231547 
          0.73017272       0.75039799       0.72105252 
          0.81228000       0.11942308       0.60291177 
          0.93758286       0.12519825       0.40395233 
          0.81258286       0.12519825       0.33815828 
          0.93843092       0.12649219       0.66831394 
          0.81284915       0.00040921       0.53261156 
          0.93758286       0.00019825       0.46898494 
          0.81258286       0.00019825       0.27231547 
          0.98708757       0.00068149       0.72141140 
          0.81232001       0.37413311       0.59505343 
          0.93758286       0.37519825       0.40395233 
          0.81258286       0.37519825       0.33815828 
          0.93334879       0.36930223       0.66649635 
          0.81308939       0.24487782       0.53487508 
          0.93758286       0.25019825       0.46898494 
          0.81258286       0.25019825       0.27231547 
          0.89128292       0.24861445       0.72772233 
          0.81027385       0.62836276       0.59482804 
          0.93758286       0.62519825       0.40395233 
          0.81258286       0.62519825       0.33815828 
          0.93363841       0.62770423       0.66563345 
          0.81251385       0.50086479       0.53202761 
          0.93758286       0.50019825       0.46898494 
          0.81258286       0.50019825       0.27231547 
          0.86933818       0.49853403       0.70078149 
          0.81109405       0.88037501       0.60317649 
          0.93758286       0.87519825       0.40395233 
          0.81258286       0.87519825       0.33815828 
          0.94024814       0.87648936       0.66691002 
          0.81235620       0.75635180       0.53454691 
          0.93758286       0.75019825       0.46898494 
          0.81258286       0.75019825       0.27231547 
          0.88580830       0.75237328       0.71991987 
          0.75012179       0.75428468       0.87977715 
          0.76917812       0.66131409       0.89312691 
          0.64370192       0.75198245       0.87101791 
          0.83817567       0.78348450       0.84597854 
          0.74917992       0.80940335       0.94082945 
  
 
 
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          8 
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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 
   
  
  
          0.06389398       0.13058125       0.60187271 
          0.18758286       0.12519825       0.40395233 
          0.06258286       0.12519825       0.33815828 
          0.19025421       0.13327400       0.66881387 
          0.06263837       0.00078880       0.53746141 
          0.18758286       0.00019825       0.46898494 
          0.06258286       0.00019825       0.27231547 
          0.13563597       0.00353867       0.71114559 
          0.06433253       0.37452292       0.60553848 
          0.18758286       0.37519825       0.40395233 
          0.06258286       0.37519825       0.33815828 
          0.19374026       0.36621260       0.66893979 
          0.06284409       0.25348973       0.53475156 
          0.18758286       0.25019825       0.46898494 
          0.06258286       0.25019825       0.27231547 
          0.22919333       0.24917566       0.73853364 
          0.06276977       0.62363607       0.60290725 
          0.18758286       0.62519825       0.40395233 
          0.06258286       0.62519825       0.33815828 
          0.19174144       0.62325652       0.66540524 
          0.06283065       0.49834959       0.53744178 
          0.18758286       0.50019825       0.46898494 
          0.06258286       0.50019825       0.27231547 
          0.25707966       0.49588921       0.70150999 
          0.06262088       0.86903887       0.59897313 
          0.18758286       0.87519825       0.40395233 
          0.06258286       0.87519825       0.33815828 
          0.18675858       0.87543225       0.66537005 
          0.06260073       0.74563791       0.53392938 
          0.18758286       0.75019825       0.46898494 
          0.06258286       0.75019825       0.27231547 
          0.25668636       0.75005789       0.70217640 
          0.31159296       0.11967156       0.59996628 
          0.43758286       0.12519825       0.40395233 
          0.31258286       0.12519825       0.33815828 
          0.43874554       0.12521755       0.66414013 
          0.31235175       0.00090128       0.53124465 
          0.43758286       0.00019825       0.46898494 
          0.31258286       0.00019825       0.27231547 
          0.49976969       0.99688469       0.70489473 
          0.31306027       0.37457340       0.59553872 
          0.43758286       0.37519825       0.40395233 
          0.31258286       0.37519825       0.33815828 
          0.43349867       0.38370841       0.66758614 
          0.31211656       0.24637423       0.53432942 
          0.43758286       0.25019825       0.46898494 
          0.31258286       0.25019825       0.27231547 
          0.37441674       0.25308970       0.70298103 
          0.31605936       0.62647188       0.59485116 
          0.43758286       0.62519825       0.40395233 
          0.31258286       0.62519825       0.33815828 
          0.43085678       0.62399573       0.66930633 
          0.31284165       0.50035063       0.53171576 
          0.43758286       0.50019825       0.46898494 
          0.31258286       0.50019825       0.27231547 
          0.40108391       0.50191483       0.73681906 
          0.31350379       0.88159688       0.60002207 
          0.43758286       0.87519825       0.40395233 
          0.31258286       0.87519825       0.33815828 
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          0.68758286       0.25019825       0.46898494 
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          0.93758286       0.62519825       0.40395233 
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          0.93758286       0.75019825       0.46898494 
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          0.76917812       0.66131409       0.89312691 
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          0.83817567       0.78348450       0.84597854 
          0.74917992       0.80940335       0.94082945 
  
  
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      12.32   28.22
      14.31   30.66
   
        115.70992877 
      25651.48640503 
     -38219.41077459 
      -1214.65024057 
      11376.50626006 
      -9107.00841578 
         -0.01658218 
       -419.51474220 
      13344.57217335 
       1527.67401188 
       1527.69059406 
       1527.67953927 
   
  
  
       9.60   15.58
       9.62   15.65
   
       -497.17479318 
       -497.17751004 
       -497.17569880 
   
  
  
      17.13   34.63
      17.14   34.65
   
       -664.89544446 
       -664.77754683 
       -664.85614525 
   
  
  
      14.70   34.53
      14.71   34.54
   
       -673.07092296 
       -672.93760488 
       -673.02648360 
   
  
  
       8.77   25.25
       9.01   27.59
   
       -673.27186610 
       -673.13708221 
       -673.22693813 
   
  
  
       8.52   15.01
      10.89   24.20
   
       -659.98172569 
       -659.78062638 
       -659.91469259 
   
  
  
      18.51   24.78
      24.10   45.94
   
       -659.27773702 
       -659.35909154 
       -659.30485519 
   
  
  
       9.96   22.33
      11.10   28.88
   
       -656.38099019 
       -656.27927529 
       -656.34708522 
   
  
  
      21.54   31.74
      23.35   38.14
   
       -656.13640785 
       -656.16293126 
       -656.14524898 
   
  
  
      10.97   20.67
      13.78   25.38
   
       -656.11931531 
       -656.10470503 
       -656.11444521 
   
  
  
      10.69   24.45
      17.47   42.69
   
       -656.09834050 
       -656.08906474 
       -656.09524858 
   
  
  
       8.80   25.90
      11.07   32.65
   
       -656.10167414 
       -656.09402390 
       -656.09912406 
   
  
  
      17.00   35.08
      18.60   40.94
   
       -656.09062110 
       -656.07457493 
       -656.08527238 
   
  
  
       8.43   15.39
      10.30   20.72
   
       -656.09049707 
       -656.06164208 
       -656.08087874