vasp 
  6.1.1  
  19Jun20 (build Jun 25 2020 02:42:34) complex                          parallel 
  Lin64 
  2021 06 20 
  20:39:04 
 
 
   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 
   
  
  
          0.06334342       0.13080283       0.60204926 
          0.18758286       0.12519825       0.40395233 
          0.06258286       0.12519825       0.33815828 
          0.19024476       0.13352386       0.66875638 
          0.06235545       0.00049875       0.53776405 
          0.18758286       0.00019825       0.46898494 
          0.06258286       0.00019825       0.27231547 
          0.13375538       0.00361655       0.70898568 
          0.06339507       0.37462720       0.60566436 
          0.18758286       0.37519825       0.40395233 
          0.06258286       0.37519825       0.33815828 
          0.19341299       0.36648467       0.66880073 
          0.06272104       0.25361139       0.53470612 
          0.18758286       0.25019825       0.46898494 
          0.06258286       0.25019825       0.27231547 
          0.22936991       0.24958743       0.73856481 
          0.06104591       0.62448402       0.60401731 
          0.18758286       0.62519825       0.40395233 
          0.06258286       0.62519825       0.33815828 
          0.19149034       0.62318699       0.66519461 
          0.06237624       0.49902763       0.53800767 
          0.18758286       0.50019825       0.46898494 
          0.06258286       0.50019825       0.27231547 
          0.25721240       0.49601994       0.70148648 
          0.06170265       0.86854435       0.59982276 
          0.18758286       0.87519825       0.40395233 
          0.06258286       0.87519825       0.33815828 
          0.18706677       0.87491593       0.66529057 
          0.06245745       0.74563114       0.53410216 
          0.18758286       0.75019825       0.46898494 
          0.06258286       0.75019825       0.27231547 
          0.25765402       0.74943649       0.70215275 
          0.31173728       0.11959603       0.59998160 
          0.43758286       0.12519825       0.40395233 
          0.31258286       0.12519825       0.33815828 
          0.43897059       0.12506637       0.66418915 
          0.31239580       0.00091018       0.53116859 
          0.43758286       0.00019825       0.46898494 
          0.31258286       0.00019825       0.27231547 
          0.49990359       0.99647916       0.70463537 
          0.31281036       0.37439678       0.59546533 
          0.43758286       0.37519825       0.40395233 
          0.31258286       0.37519825       0.33815828 
          0.43327278       0.38394792       0.66741762 
          0.31217992       0.24623080       0.53425815 
          0.43758286       0.25019825       0.46898494 
          0.31258286       0.25019825       0.27231547 
          0.37456241       0.25316195       0.70288560 
          0.31587734       0.62628029       0.59457408 
          0.43758286       0.62519825       0.40395233 
          0.31258286       0.62519825       0.33815828 
          0.43052875       0.62427452       0.66912671 
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          0.40131776       0.50218600       0.73677420 
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          0.43582383       0.86788736       0.66775884 
          0.31284827       0.75455696       0.53415393 
          0.43758286       0.75019825       0.46898494 
          0.31258286       0.75019825       0.27231547 
          0.40247550       0.74813709       0.73509345 
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          0.68758286       0.12519825       0.40395233 
          0.56258286       0.12519825       0.33815828 
          0.68463504       0.11784015       0.66778932 
          0.56280188       0.99996826       0.53727458 
          0.68758286       0.00019825       0.46898494 
          0.56258286       0.00019825       0.27231547 
          0.64566454       0.99928798       0.73499962 
          0.56266794       0.37729265       0.60478692 
          0.68758286       0.37519825       0.40395233 
          0.56258286       0.37519825       0.33815828 
          0.69281771       0.38313335       0.66651364 
          0.56280720       0.25578429       0.53438826 
          0.68758286       0.25019825       0.46898494 
          0.56258286       0.25019825       0.27231547 
          0.74572311       0.24936736       0.70128063 
          0.56124660       0.62505603       0.60713256 
          0.68758286       0.62519825       0.40395233 
          0.56258286       0.62519825       0.33815828 
          0.69072943       0.62168665       0.66962571 
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          0.68758286       0.50019825       0.46898494 
          0.56258286       0.50019825       0.27231547 
          0.72628259       0.50113828       0.73623616 
          0.56259631       0.86955067       0.60099168 
          0.68758286       0.87519825       0.40395233 
          0.56258286       0.87519825       0.33815828 
          0.68393908       0.87829274       0.67032424 
          0.56251035       0.74572935       0.53537547 
          0.68758286       0.75019825       0.46898494 
          0.56258286       0.75019825       0.27231547 
          0.73219237       0.75053710       0.71892550 
          0.81265769       0.11869675       0.60230443 
          0.93758286       0.12519825       0.40395233 
          0.81258286       0.12519825       0.33815828 
          0.93776444       0.12783043       0.66853050 
          0.81278170       0.99850710       0.53300350 
          0.93758286       0.00019825       0.46898494 
          0.81258286       0.00019825       0.27231547 
          0.98580688       0.00086610       0.71954748 
          0.81171791       0.37437658       0.59420484 
          0.93758286       0.37519825       0.40395233 
          0.81258286       0.37519825       0.33815828 
          0.93183713       0.36967275       0.66615902 
          0.81284433       0.24479402       0.53462064 
          0.93758286       0.25019825       0.46898494 
          0.81258286       0.25019825       0.27231547 
          0.89169424       0.24940232       0.72937708 
          0.81014297       0.62880875       0.59766408 
          0.93758286       0.62519825       0.40395233 
          0.81258286       0.62519825       0.33815828 
          0.93341169       0.63135441       0.66845885 
          0.81226843       0.50246746       0.53285478 
          0.93758286       0.50019825       0.46898494 
          0.81258286       0.50019825       0.27231547 
          0.87012742       0.50092559       0.69980951 
          0.81139209       0.87885674       0.60464810 
          0.93758286       0.87519825       0.40395233 
          0.81258286       0.87519825       0.33815828 
          0.93945514       0.87455883       0.66877804 
          0.81258506       0.75553332       0.53523168 
          0.93758286       0.75019825       0.46898494 
          0.81258286       0.75019825       0.27231547 
          0.88575550       0.75314685       0.72411172 
          0.75080797       0.75112935       0.88111992 
          0.77010736       0.65727886       0.89609896 
          0.65617997       0.75669563       0.85623673 
          0.81561490       0.77898893       0.83288552 
          0.75932756       0.80862290       0.93752921 
  
 
 
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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 
   
  
  
          0.06334342       0.13080283       0.60204926 
          0.18758286       0.12519825       0.40395233 
          0.06258286       0.12519825       0.33815828 
          0.19024476       0.13352386       0.66875638 
          0.06235545       0.00049875       0.53776405 
          0.18758286       0.00019825       0.46898494 
          0.06258286       0.00019825       0.27231547 
          0.13375538       0.00361655       0.70898568 
          0.06339507       0.37462720       0.60566436 
          0.18758286       0.37519825       0.40395233 
          0.06258286       0.37519825       0.33815828 
          0.19341299       0.36648467       0.66880073 
          0.06272104       0.25361139       0.53470612 
          0.18758286       0.25019825       0.46898494 
          0.06258286       0.25019825       0.27231547 
          0.22936991       0.24958743       0.73856481 
          0.06104591       0.62448402       0.60401731 
          0.18758286       0.62519825       0.40395233 
          0.06258286       0.62519825       0.33815828 
          0.19149034       0.62318699       0.66519461 
          0.06237624       0.49902763       0.53800767 
          0.18758286       0.50019825       0.46898494 
          0.06258286       0.50019825       0.27231547 
          0.25721240       0.49601994       0.70148648 
          0.06170265       0.86854435       0.59982276 
          0.18758286       0.87519825       0.40395233 
          0.06258286       0.87519825       0.33815828 
          0.18706677       0.87491593       0.66529057 
          0.06245745       0.74563114       0.53410216 
          0.18758286       0.75019825       0.46898494 
          0.06258286       0.75019825       0.27231547 
          0.25765402       0.74943649       0.70215275 
          0.31173728       0.11959603       0.59998160 
          0.43758286       0.12519825       0.40395233 
          0.31258286       0.12519825       0.33815828 
          0.43897059       0.12506637       0.66418915 
          0.31239580       0.00091018       0.53116859 
          0.43758286       0.00019825       0.46898494 
          0.31258286       0.00019825       0.27231547 
          0.49990359       0.99647916       0.70463537 
          0.31281036       0.37439678       0.59546533 
          0.43758286       0.37519825       0.40395233 
          0.31258286       0.37519825       0.33815828 
          0.43327278       0.38394792       0.66741762 
          0.31217992       0.24623080       0.53425815 
          0.43758286       0.25019825       0.46898494 
          0.31258286       0.25019825       0.27231547 
          0.37456241       0.25316195       0.70288560 
          0.31587734       0.62628029       0.59457408 
          0.43758286       0.62519825       0.40395233 
          0.31258286       0.62519825       0.33815828 
          0.43052875       0.62427452       0.66912671 
          0.31283493       0.50011983       0.53158287 
          0.43758286       0.50019825       0.46898494 
          0.31258286       0.50019825       0.27231547 
          0.40131776       0.50218600       0.73677420 
          0.31367417       0.88156070       0.59980662 
          0.43758286       0.87519825       0.40395233 
          0.31258286       0.87519825       0.33815828 
          0.43582383       0.86788736       0.66775884 
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          0.81561490       0.77898893       0.83288552 
          0.75932756       0.80862290       0.93752921 
  
  
     T  T  T 
     F  F  F 
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      11.41   11.47
      13.61   13.68
   
        115.70992877 
      25683.00465401 
     -38247.01466550 
      -1214.32261968 
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       1530.11705517 
   
  
  
      13.68   13.72
      13.68   13.73
   
       -497.55791337 
       -497.58662451 
       -497.56748375 
   
  
  
      13.52   13.56
      13.52   13.56
   
       -665.72239605 
       -665.58766899 
       -665.67748703