vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  01:20:48 
 
 
  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 
    
   
   
           0.70949671       0.95187791       0.00698812 
           0.12126523       0.84205622       0.11244097 
           0.59592389       0.12105893       0.29840747 
           0.93493892       0.06794240       0.04722260 
           0.66684223       0.27241498       0.51716282 
           0.82038730       0.03098143       0.01659699 
           0.17420137       0.28997034       0.65877296 
           0.85966691       0.57424753       0.43885935 
           0.71977747       0.08959442       0.02841778 
           0.76665132       0.61920415       0.42263927 
           0.34323111       0.26158944       0.19586144 
           0.21763596       0.67401388       0.18962769 
           0.69787430       0.09032435       0.16369992 
           0.10681537       0.50082793       0.34732783 
           0.07399688       0.64184726       0.68559069 
           0.86153525       0.75096195       0.72316902 
           0.66480309       0.00593178       0.80474103 
           0.00598619       0.41138770       0.31667439 
           0.11031367       0.22461211       0.25989424 
           0.97793727       0.36816603       0.61733132 
           0.26602132       0.62711555       0.86206008 
           0.93148845       0.65206517       0.85082793 
           0.84089952       0.04312389       0.01424214 
           0.33727430       0.87449242       0.80772172 
           0.69782338       0.09429502       0.05758093 
           0.35662229       0.85306190       0.42526840 
           0.78114787       0.70011945       0.54166816 
           0.20062856       0.65392489       0.43405578 
           0.38224605       0.41553871       0.74360312 
           0.92516813       0.42941689       0.50501182 
           0.56683557       0.50616645       0.68237534 
           0.56023253       0.62256270       0.82373170 
           0.95709638       0.98347783       0.28906363 
           0.46627583       0.36856277       0.68184516 
           0.55814586       0.18759712       0.95415724 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          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 
   
  
  
          0.70949671       0.95187791       0.00698812 
          0.12126523       0.84205622       0.11244097 
          0.59592389       0.12105893       0.29840747 
          0.93493892       0.06794240       0.04722260 
          0.66684223       0.27241498       0.51716282 
          0.82038730       0.03098143       0.01659699 
          0.17420137       0.28997034       0.65877296 
          0.85966691       0.57424753       0.43885935 
          0.71977747       0.08959442       0.02841778 
          0.76665132       0.61920415       0.42263927 
          0.34323111       0.26158944       0.19586144 
          0.21763596       0.67401388       0.18962769 
          0.69787430       0.09032435       0.16369992 
          0.10681537       0.50082793       0.34732783 
          0.07399688       0.64184726       0.68559069 
          0.86153525       0.75096195       0.72316902 
          0.66480309       0.00593178       0.80474103 
          0.00598619       0.41138770       0.31667439 
          0.11031367       0.22461211       0.25989424 
          0.97793727       0.36816603       0.61733132 
          0.26602132       0.62711555       0.86206008 
          0.93148845       0.65206517       0.85082793 
          0.84089952       0.04312389       0.01424214 
          0.33727430       0.87449242       0.80772172 
          0.69782338       0.09429502       0.05758093 
          0.35662229       0.85306190       0.42526840 
          0.78114787       0.70011945       0.54166816 
          0.20062856       0.65392489       0.43405578 
          0.38224605       0.41553871       0.74360312 
          0.92516813       0.42941689       0.50501182 
          0.56683557       0.50616645       0.68237534 
          0.56023253       0.62256270       0.82373170 
          0.95709638       0.98347783       0.28906363 
          0.46627583       0.36856277       0.68184516 
          0.55814586       0.18759712       0.95415724 
  
 
 
  
       6.11    6.19
       6.63    6.71
   
         24.76344702 
        688.79760558 
      -2502.47309742 
       -291.84249419 
       3170.77583059 
      -2609.60722799 
         -0.01892037 
       -270.32643975 
       3755.32434067 
       1965.39304415 
       1965.41196452 
       1965.39935094 
   
  
  
       9.13    9.19
       9.13    9.20
   
       1124.55585503 
       1124.55654415 
       1124.55608474 
   
  
  
       9.59    9.66
       9.59    9.66
   
        869.00677115 
        868.99384253 
        869.00246161 
   
  
  
       9.12    9.17
       9.12    9.17
   
        826.24472125 
        826.24025364 
        826.24323204 
   
  
  
       7.96    8.01
       8.08    8.13
   
        821.01650408 
        821.02530475 
        821.01943764 
   
  
  
       7.30    7.36
       7.86    7.92
   
        857.84800897 
        857.83467297 
        857.84356364 
   
  
  
       8.80    8.87
       9.37    9.44
   
        979.16240035 
        979.17373304 
        979.16617792 
   
  
  
       7.24    7.31
       7.81    7.88
   
        952.27766235 
        952.28643850 
        952.28058773 
   
  
  
       7.67    7.72
       8.24    8.30
   
        967.04208163 
        967.04647259 
        967.04354528 
   
  
  
       7.68    7.73
       8.24    8.30
   
        966.32870762 
        966.34846884 
        966.33529470 
   
  
  
       7.74    7.80
       8.32    8.38
   
        966.31058042 
        966.29491848 
        966.30535977 
   
  
  
       7.06    7.11
       7.63    7.69
   
        962.82002033 
        962.82980182 
        962.82328083 
   
  
  
       6.60    6.66
       7.16    7.22
   
        964.86015666 
        964.87884298 
        964.86638543 
   
  
  
       7.01    7.07
       7.58    7.64
   
        923.42499387 
        923.47672859 
        923.44223877 
   
  
  
       6.61    6.67
       7.18    7.24
   
        896.19137338 
        896.21306012 
        896.19860230 
   
  
  
       7.01    7.09
       7.57    7.65
   
        893.84351770 
        893.85961662 
        893.84888401 
   
  
  
       5.10    5.16
       5.66    5.73
   
        877.16898111 
        877.17166018 
        877.16987413