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 
   
  
  
          0.06314640       0.13115525       0.60374834 
          0.18766571       0.12539650       0.40558990 
          0.06266571       0.12539650       0.33979585 
          0.18949039       0.13122448       0.67035896 
          0.06261990       0.00103345       0.53922587 
          0.18766571       0.00039650       0.47062251 
          0.06266571       0.00039650       0.27395304 
          0.14122917       0.00292837       0.72027854 
          0.06299707       0.37422816       0.60774305 
          0.18766571       0.37539650       0.40558990 
          0.06266571       0.37539650       0.33979585 
          0.19361898       0.36619689       0.67000659 
          0.06270722       0.25395577       0.53617598 
          0.18766571       0.25039650       0.47062251 
          0.06266571       0.25039650       0.27395304 
          0.22935945       0.24878367       0.73882704 
          0.06150474       0.62404248       0.60485199 
          0.18766571       0.62539650       0.40558990 
          0.06266571       0.62539650       0.33979585 
          0.19148305       0.62389920       0.66663602 
          0.06252307       0.49824839       0.53933048 
          0.18766571       0.50039650       0.47062251 
          0.06266571       0.50039650       0.27395304 
          0.25685626       0.49625563       0.70224740 
          0.06177994       0.86867152       0.60042372 
          0.18766571       0.87539650       0.40558990 
          0.06266571       0.87539650       0.33979585 
          0.18576986       0.87714893       0.66701902 
          0.06277318       0.74534396       0.53514212 
          0.18766571       0.75039650       0.47062251 
          0.06266571       0.75039650       0.27395304 
          0.25613498       0.75104611       0.70354143 
          0.31167963       0.11996555       0.60170810 
          0.43766571       0.12539650       0.40558990 
          0.31266571       0.12539650       0.33979585 
          0.43934886       0.12605053       0.66558371 
          0.31243106       0.00104797       0.53285703 
          0.43766571       0.00039650       0.47062251 
          0.31266571       0.00039650       0.27395304 
          0.50023229       0.99741500       0.70555263 
          0.31348931       0.37492426       0.59700964 
          0.43766571       0.37539650       0.40558990 
          0.31266571       0.37539650       0.33979585 
          0.43414968       0.38389170       0.66882121 
          0.31221223       0.24661323       0.53587390 
          0.43766571       0.25039650       0.47062251 
          0.31266571       0.25039650       0.27395304 
          0.37458964       0.25369592       0.70450057 
          0.31620440       0.62687367       0.59642065 
          0.43766571       0.62539650       0.40558990 
          0.31266571       0.62539650       0.33979585 
          0.43166558       0.62472655       0.67064203 
          0.31297060       0.50078188       0.53325001 
          0.43766571       0.50039650       0.47062251 
          0.31266571       0.50039650       0.27395304 
          0.40094517       0.50228275       0.73738163 
          0.31337469       0.88175425       0.60183476 
          0.43766571       0.87539650       0.40558990 
          0.31266571       0.87539650       0.33979585 
          0.43609570       0.86816041       0.66952292 
          0.31290526       0.75501552       0.53576309 
          0.43766571       0.75039650       0.47062251 
          0.31266571       0.75039650       0.27395304 
          0.40119932       0.74826566       0.73598648 
          0.56474844       0.13262998       0.60032539 
          0.68766571       0.12539650       0.40558990 
          0.56266571       0.12539650       0.33979585 
          0.68590306       0.12039341       0.66931659 
          0.56299988       0.00063507       0.53894963 
          0.68766571       0.00039650       0.47062251 
          0.56266571       0.00039650       0.27395304 
          0.64629205       0.99920307       0.73301526 
          0.56422229       0.37730158       0.60676719 
          0.68766571       0.37539650       0.40558990 
          0.56266571       0.37539650       0.33979585 
          0.69462320       0.38175406       0.66903635 
          0.56297592       0.25638542       0.53593962 
          0.68766571       0.25039650       0.47062251 
          0.56266571       0.25039650       0.27395304 
          0.75177949       0.24954431       0.70521671 
          0.56313658       0.62534367       0.60876772 
          0.68766571       0.62539650       0.40558990 
          0.56266571       0.62539650       0.33979585 
          0.69571033       0.62297910       0.66964609 
          0.56270338       0.50194599       0.53946109 
          0.68766571       0.50039650       0.47062251 
          0.56266571       0.50039650       0.27395304 
          0.72766935       0.50126709       0.73700572 
          0.56331494       0.87020268       0.60285606 
          0.68766571       0.87539650       0.40558990 
          0.56266571       0.87539650       0.33979585 
          0.68722874       0.87558155       0.67084075 
          0.56255111       0.74629670       0.53674402 
          0.68766571       0.75039650       0.47062251 
          0.56266571       0.75039650       0.27395304 
          0.73182629       0.75016252       0.72964382 
          0.81314726       0.12059914       0.60280803 
          0.93766571       0.12539650       0.40558990 
          0.81266571       0.12539650       0.33979585 
          0.93606334       0.13383914       0.67029070 
          0.81265755       0.00134766       0.53368626 
          0.93766571       0.00039650       0.47062251 
          0.81266571       0.00039650       0.27395304 
          0.99354109       0.00154582       0.70634917 
          0.81395705       0.37524559       0.59678733 
          0.93766571       0.37539650       0.40558990 
          0.81266571       0.37539650       0.33979585 
          0.93270035       0.36638951       0.67034150 
          0.81293271       0.24681270       0.53605152 
          0.93766571       0.25039650       0.47062251 
          0.81266571       0.25039650       0.27395304 
          0.89736010       0.24959758       0.74073899 
          0.81132212       0.62808182       0.59601127 
          0.93766571       0.62539650       0.40558990 
          0.81266571       0.62539650       0.33979585 
          0.93196436       0.62854961       0.66769553 
          0.81271157       0.50148153       0.53355223 
          0.93766571       0.50039650       0.47062251 
          0.81266571       0.50039650       0.27395304 
          0.87226843       0.49767327       0.70326623 
          0.81085244       0.88217073       0.60228583 
          0.93766571       0.87539650       0.40558990 
          0.81266571       0.87539650       0.33979585 
          0.93657081       0.87087793       0.66733125 
          0.81222866       0.75620406       0.53560228 
          0.93766571       0.75039650       0.47062251 
          0.81266571       0.75039650       0.27395304 
          0.88857902       0.75075445       0.72864532 
          0.70081532       0.74607973       0.84070546 
          0.74385106       0.66784395       0.86961286 
          0.60495688       0.74165072       0.85313897 
          0.91914621       0.75235247       0.79745789 
          0.73630062       0.82462580       0.87469631 
  
 
 
          1 
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          8 
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        125 
        126 
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        128 
        129 
        130 
        131 
        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 
   
  
  
          0.06314640       0.13115525       0.60374834 
          0.18766571       0.12539650       0.40558990 
          0.06266571       0.12539650       0.33979585 
          0.18949039       0.13122448       0.67035896 
          0.06261990       0.00103345       0.53922587 
          0.18766571       0.00039650       0.47062251 
          0.06266571       0.00039650       0.27395304 
          0.14122917       0.00292837       0.72027854 
          0.06299707       0.37422816       0.60774305 
          0.18766571       0.37539650       0.40558990 
          0.06266571       0.37539650       0.33979585 
          0.19361898       0.36619689       0.67000659 
          0.06270722       0.25395577       0.53617598 
          0.18766571       0.25039650       0.47062251 
          0.06266571       0.25039650       0.27395304 
          0.22935945       0.24878367       0.73882704 
          0.06150474       0.62404248       0.60485199 
          0.18766571       0.62539650       0.40558990 
          0.06266571       0.62539650       0.33979585 
          0.19148305       0.62389920       0.66663602 
          0.06252307       0.49824839       0.53933048 
          0.18766571       0.50039650       0.47062251 
          0.06266571       0.50039650       0.27395304 
          0.25685626       0.49625563       0.70224740 
          0.06177994       0.86867152       0.60042372 
          0.18766571       0.87539650       0.40558990 
          0.06266571       0.87539650       0.33979585 
          0.18576986       0.87714893       0.66701902 
          0.06277318       0.74534396       0.53514212 
          0.18766571       0.75039650       0.47062251 
          0.06266571       0.75039650       0.27395304 
          0.25613498       0.75104611       0.70354143 
          0.31167963       0.11996555       0.60170810 
          0.43766571       0.12539650       0.40558990 
          0.31266571       0.12539650       0.33979585 
          0.43934886       0.12605053       0.66558371 
          0.31243106       0.00104797       0.53285703 
          0.43766571       0.00039650       0.47062251 
          0.31266571       0.00039650       0.27395304 
          0.50023229       0.99741500       0.70555263 
          0.31348931       0.37492426       0.59700964 
          0.43766571       0.37539650       0.40558990 
          0.31266571       0.37539650       0.33979585 
          0.43414968       0.38389170       0.66882121 
          0.31221223       0.24661323       0.53587390 
          0.43766571       0.25039650       0.47062251 
          0.31266571       0.25039650       0.27395304 
          0.37458964       0.25369592       0.70450057 
          0.31620440       0.62687367       0.59642065 
          0.43766571       0.62539650       0.40558990 
          0.31266571       0.62539650       0.33979585 
          0.43166558       0.62472655       0.67064203 
          0.31297060       0.50078188       0.53325001 
          0.43766571       0.50039650       0.47062251 
          0.31266571       0.50039650       0.27395304 
          0.40094517       0.50228275       0.73738163 
          0.31337469       0.88175425       0.60183476 
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          0.68766571       0.87539650       0.40558990 
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          0.93766571       0.62539650       0.40558990 
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          0.93766571       0.75039650       0.47062251 
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          0.60495688       0.74165072       0.85313897 
          0.91914621       0.75235247       0.79745789 
          0.73630062       0.82462580       0.87469631 
  
  
     T  T  T 
     F  F  F 
     F  F  F 
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      12.42   36.62
      13.99   38.87
   
        115.70992877 
      25982.81537617 
     -38545.41424160 
      -1214.02034736 
      11376.50626006 
      -9107.00841578 
          0.01424391 
       -419.62039453 
      13344.57217335 
       1533.55458299 
       1533.54033908 
       1533.54983502 
   
  
  
      17.27   40.18
      17.28   40.25
   
       -495.98196583 
       -496.03417156 
       -495.99936774 
   
  
  
      15.62   33.35
      15.63   33.41
   
       -666.77275407 
       -666.50934559 
       -666.68495124 
   
  
  
      12.73   24.83
      12.74   24.86
   
       -675.63618057 
       -675.38050560 
       -675.55095558 
   
  
  
      11.13   15.53
      11.49   19.47
   
       -675.87396940 
       -675.61782380 
       -675.78858753 
   
  
  
      11.82   32.87
      13.57   35.89
   
       -662.83920655 
       -662.78632103 
       -662.82157805 
   
  
  
       9.20   21.72
      11.57   28.58
   
       -659.46903187 
       -659.28433054 
       -659.40746476 
   
  
  
      12.33   25.91
      15.12   30.31
   
       -659.17040319 
       -659.14283615 
       -659.16121418 
   
  
  
       8.98   23.20
      12.38   30.55
   
       -658.96424415 
       -658.88246195 
       -658.93698341 
   
  
  
      18.30   34.84
      20.56   39.32
   
       -658.98817017 
       -658.91690930 
       -658.96441655 
   
  
  
      13.61   21.58
      15.47   27.29
   
       -658.94899369 
       -658.87129066 
       -658.92309268 
   
  
  
       9.36   26.63
      10.96   32.08
   
       -658.94493852 
       -658.85847681 
       -658.91611795 
   
  
  
      18.22   36.06
      20.29   43.44
   
       -658.94317854 
       -658.85622469 
       -658.91419392 
   
  
  
       8.42   15.63
      10.25   20.02
   
       -658.94222035 
       -658.85986564 
       -658.91476878