vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  03:14:29 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.32000000
        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      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      19.66310000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       1632.96160543 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.05085668       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.69763906       0.71857880       0.04818876 
           0.97085060       0.48616457       0.65857788 
           0.10231802       0.43845222       0.60690805 
           0.42108252       0.75709654       0.90808209 
           0.68300731       0.73417613       0.99473277 
           0.62927354       0.45092491       0.56066322 
           0.16444360       0.47661971       0.53039131 
           0.57104977       0.40148124       0.01931696 
           0.37633799       0.47064982       0.78833612 
           0.70448577       0.06252771       0.89192592 
           0.82714934       0.01337840       0.19392497 
           0.77593750       0.40788962       0.47760348 
           0.72469385       0.23469821       0.69804861 
           0.05762133       0.85105455       0.96886101 
           0.30694441       0.43386385       0.81475252 
           0.12850396       0.17295994       0.15232745 
           0.60014759       0.06321630       0.36738516 
           0.04128795       0.44789013       0.88412201 
           0.88251184       0.61352455       0.22905348 
           0.97837383       0.75473207       0.53463814 
           0.80343998       0.25657338       0.08710199 
           0.41174189       0.51789074       0.95669958 
           0.18202160       0.78432538       0.85708459 
           0.99117864       0.36336816       0.16029415 
           0.86698658       0.51398499       0.73999016 
           0.73493114       0.25943072       0.73736465 
           0.62302089       0.07734657       0.37989229 
           0.00493022       0.47333228       0.62271969 
           0.23008223       0.69616505       0.82576557 
           0.01304003       0.44335730       0.13751102 
           0.35708679       0.29390925       0.78014452 
           0.19852569       0.16821103       0.76261461 
           0.51466662       0.22121757       0.31896323 
           0.77919926       0.88922364       0.01829420 
           0.70972828       0.57576022       0.84708040 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
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          17 
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          19 
          20 
          21 
          22 
          23 
          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
  
 
 
  
          2        1        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.50000000       0.00000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       605.39200000
         0.00001000
       38
       10
       88
       -1
       -1
       136.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     F  
          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      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
       200
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000003
           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
   
  
  
       40
       96
       54
       80
      192
      108
    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      0.73000000      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     16.00000000      1.00000000
         0.00000000      0.00000000      0.00000000
         1.00000000      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
        27.99362752
         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
      200
        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
         0.80000001
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
        35 
         3 
  
   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
    O    2
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      19.66310000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      1632.96160543 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.05085668       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.69763906       0.71857880       0.04818876 
          0.97085060       0.48616457       0.65857788 
          0.10231802       0.43845222       0.60690805 
          0.42108252       0.75709654       0.90808209 
          0.68300731       0.73417613       0.99473277 
          0.62927354       0.45092491       0.56066322 
          0.16444360       0.47661971       0.53039131 
          0.57104977       0.40148124       0.01931696 
          0.37633799       0.47064982       0.78833612 
          0.70448577       0.06252771       0.89192592 
          0.82714934       0.01337840       0.19392497 
          0.77593750       0.40788962       0.47760348 
          0.72469385       0.23469821       0.69804861 
          0.05762133       0.85105455       0.96886101 
          0.30694441       0.43386385       0.81475252 
          0.12850396       0.17295994       0.15232745 
          0.60014759       0.06321630       0.36738516 
          0.04128795       0.44789013       0.88412201 
          0.88251184       0.61352455       0.22905348 
          0.97837383       0.75473207       0.53463814 
          0.80343998       0.25657338       0.08710199 
          0.41174189       0.51789074       0.95669958 
          0.18202160       0.78432538       0.85708459 
          0.99117864       0.36336816       0.16029415 
          0.86698658       0.51398499       0.73999016 
          0.73493114       0.25943072       0.73736465 
          0.62302089       0.07734657       0.37989229 
          0.00493022       0.47333228       0.62271969 
          0.23008223       0.69616505       0.82576557 
          0.01304003       0.44335730       0.13751102 
          0.35708679       0.29390925       0.78014452 
          0.19852569       0.16821103       0.76261461 
          0.51466662       0.22121757       0.31896323 
          0.77919926       0.88922364       0.01829420 
          0.70972828       0.57576022       0.84708040 
  
 
 
  
       5.93    6.00
       6.46    6.52
   
         24.76344702 
       1607.60344857 
      -3520.77863196 
       -295.73533015 
       3170.77583059 
      -2609.60722799 
         -0.01333431 
       -212.74640592 
       3755.32434067 
       1919.58613653 
       1919.59947085 
       1919.59058131 
   
  
  
       7.79    7.85
       7.79    7.85
   
       1180.66159948 
       1180.65397154 
       1180.65905683 
   
  
  
       9.59    9.65
       9.59    9.65
   
        973.96034076 
        973.95253450 
        973.95773867 
   
  
  
       8.15    8.20
       8.15    8.20
   
        947.57539635 
        947.59041372 
        947.58040214 
   
  
  
       8.28    8.33
       8.40    8.46
   
        945.38677050 
        945.42951149 
        945.40101749 
   
  
  
       8.70    8.76
       9.26    9.32
   
       1016.53637504 
       1016.54920868 
       1016.54065292 
   
  
  
       8.74    8.79
       9.31    9.36
   
       1065.40562049 
       1065.42962722 
       1065.41362273 
   
  
  
       7.95    8.01
       8.51    8.57
   
       1064.07403992 
       1064.09081396 
       1064.07963127 
   
  
  
       7.98    8.04
       8.53    8.60
   
       1077.85066682 
       1077.89586018 
       1077.86573127 
   
  
  
       7.98    8.04
       8.55    8.62
   
       1045.73105523 
       1045.69994947 
       1045.72068664 
   
  
  
       7.23    7.30
       7.79    7.86
   
       1053.59444079 
       1053.57653243 
       1053.58847134 
   
  
  
       7.40    7.45
       7.96    8.01
   
       1083.07024684 
       1083.08768933 
       1083.07606101 
   
  
  
       7.57    7.63
       8.13    8.19
   
       1070.74941323 
       1070.81042102 
       1070.76974916 
   
  
  
       7.27    7.33
       7.83    7.89
   
       1078.08986423 
       1078.13584726 
       1078.10519190 
   
  
  
       7.61    7.67
       8.17    8.23
   
       1076.09585769 
       1076.15418667 
       1076.11530068 
   
  
  
       6.77    6.82
       7.33    7.39
   
       1077.53546868 
       1077.54112754 
       1077.53735497 
   
  
  
       6.20    6.26
       6.76    6.82
   
       1096.25610996 
       1096.24630719 
       1096.25284237 
   
  
  
       6.96    7.02
       7.53    7.58
   
       1104.67343597 
       1104.72398364 
       1104.69028520