vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  15:39:23 
 
 
  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      0.32000000      0.73000000
  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 
    
   
   
           0.91311637       0.52958232       0.09898843 
           0.87281716       0.24623363       0.42281484 
           0.12336293       0.45357177       0.18937441 
           0.12698206       0.29284341       0.33684463 
           0.82950880       0.33588458       0.01944130 
           0.96498282       0.42158035       0.52767070 
           0.08762062       0.33595372       0.13695473 
           0.18536288       0.40877658       0.38130937 
           0.79264219       0.55587744       0.49222293 
           0.77283114       0.24893667       0.87415333 
           0.00334031       0.52325098       0.65451066 
           0.02950619       0.21345681       0.76330206 
           0.90190324       0.31177702       0.60401187 
           0.86858317       0.44634308       0.94281694 
           0.15380306       0.32978949       0.73317251 
           0.11100595       0.44236816       0.81230562 
           0.39974421       0.48246162       0.11311738 
           0.40124369       0.26740249       0.42922303 
           0.67999709       0.47428799       0.19283238 
           0.64996383       0.31556487       0.34424636 
           0.33513473       0.33382656       0.01362519 
           0.43724332       0.42709167       0.49466090 
           0.58497814       0.35299943       0.14257079 
           0.71625960       0.44644222       0.40132695 
           0.30869567       0.52167508       0.61870406 
           0.28783949       0.24200965       0.87444653 
           0.61223909       0.55646521       0.67227687 
           0.53521126       0.21885215       0.74561038 
           0.40871174       0.32727935       0.61590089 
           0.38513528       0.43982127       0.91044099 
           0.67063389       0.33913838       0.73560351 
           0.64084586       0.45652031       0.79125792 
           0.65205086       0.58826349       0.80420111 
           0.56852006       0.61009440       0.52278431 
           0.44364375       0.61225000       0.57916825 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          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
      104
       -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  
          1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      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  
   
   
       200
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000002
           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      0.32000000      0.73000000
      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
  
  
        1
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000      1.00000000     16.00000000
         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
    H    2
    H    2
    O    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
   
  
 
 
  
   
           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 
   
  
  
          0.91311637       0.52958232       0.09898843 
          0.87281716       0.24623363       0.42281484 
          0.12336293       0.45357177       0.18937441 
          0.12698206       0.29284341       0.33684463 
          0.82950880       0.33588458       0.01944130 
          0.96498282       0.42158035       0.52767070 
          0.08762062       0.33595372       0.13695473 
          0.18536288       0.40877658       0.38130937 
          0.79264219       0.55587744       0.49222293 
          0.77283114       0.24893667       0.87415333 
          0.00334031       0.52325098       0.65451066 
          0.02950619       0.21345681       0.76330206 
          0.90190324       0.31177702       0.60401187 
          0.86858317       0.44634308       0.94281694 
          0.15380306       0.32978949       0.73317251 
          0.11100595       0.44236816       0.81230562 
          0.39974421       0.48246162       0.11311738 
          0.40124369       0.26740249       0.42922303 
          0.67999709       0.47428799       0.19283238 
          0.64996383       0.31556487       0.34424636 
          0.33513473       0.33382656       0.01362519 
          0.43724332       0.42709167       0.49466090 
          0.58497814       0.35299943       0.14257079 
          0.71625960       0.44644222       0.40132695 
          0.30869567       0.52167508       0.61870406 
          0.28783949       0.24200965       0.87444653 
          0.61223909       0.55646521       0.67227687 
          0.53521126       0.21885215       0.74561038 
          0.40871174       0.32727935       0.61590089 
          0.38513528       0.43982127       0.91044099 
          0.67063389       0.33913838       0.73560351 
          0.64084586       0.45652031       0.79125792 
          0.65205086       0.58826349       0.80420111 
          0.56852006       0.61009440       0.52278431 
          0.44364375       0.61225000       0.57916825 
  
 
 
  
      14.45   14.61
      15.09   15.25
   
         24.76344702 
       8995.22533379 
     -12288.47849954 
       -264.32149167 
       3167.08814863 
      -2605.71786812 
         -0.02064138 
       -181.20527614 
       3755.32434067 
        602.65749327 
        602.67813466 
        602.66437374 
   
  
  
      18.29   18.29
      18.30   18.29
   
        -89.14433960 
        -89.15311783 
        -89.14726568 
   
  
  
      17.66   17.66
      17.66   17.66
   
       -162.41810805 
       -162.42171936 
       -162.41931182 
   
  
  
      18.67   18.67
      18.67   18.67
   
       -165.59760806 
       -165.60230996 
       -165.59917536 
   
  
  
      18.93   18.93
      19.09   19.09
   
       -165.72264093 
       -165.72738552 
       -165.72422246 
   
  
  
      16.04   16.04
      16.85   16.85
   
       -144.23006612 
       -144.21261280 
       -144.22424835 
   
  
  
      16.46   16.47
      17.26   17.26
   
       -141.89957653 
       -141.88853908 
       -141.89589738 
   
  
  
      17.42   17.42
      18.23   18.23
   
       -143.67226309 
       -143.65634512 
       -143.66695710 
   
  
  
      16.35   16.35
      17.13   17.13
   
       -147.22322268 
       -147.20993650 
       -147.21879395 
   
  
  
      17.24   17.24
      18.02   18.02
   
       -152.33540407 
       -152.33957287 
       -152.33679367 
   
  
  
      15.35   15.35
      16.15   16.15
   
       -160.42296158 
       -160.43936078 
       -160.42842798 
   
  
  
      16.13   16.12
      16.94   16.94
   
       -166.86183718 
       -166.86186388 
       -166.86184608 
   
  
  
      16.68   16.68
      17.52   17.52
   
       -168.89571468 
       -168.89237846 
       -168.89460260 
   
  
  
      16.80   16.80
      17.65   17.65
   
       -169.78227852 
       -169.77779139 
       -169.78078281 
   
  
  
      16.13   16.13
      16.99   16.99
   
       -170.31618027 
       -170.31014459 
       -170.31416838 
   
  
  
      17.46   17.46
      18.32   18.32
   
       -170.57391629 
       -170.56633945 
       -170.57139068 
   
  
  
      16.26   16.26
      17.15   17.15
   
       -170.71706827 
       -170.70926873 
       -170.71446842 
   
  
  
      17.22   17.22
      18.04   18.03
   
       -170.80501921 
       -170.79624615 
       -170.80209486 
   
  
  
      17.58   17.58
      18.40   18.40
   
       -170.87641670 
       -170.86662824 
       -170.87315388 
   
  
  
      17.14   17.14
      17.95   17.95
   
       -170.90962730 
       -170.89935682 
       -170.90620381 
   
  
  
      16.60   16.59
      17.48   17.48
   
       -170.93700469 
       -170.92616675 
       -170.93339204 
   
  
  
      17.45   17.45
      18.32   18.32
   
       -170.95023053 
       -170.93905980 
       -170.94650695 
   
  
  
      17.47   17.46
      18.34   18.34
   
       -170.95340193 
       -170.94197284 
       -170.94959224 
   
  
  
      16.64   16.64
      17.50   17.50
   
       -170.95504473 
       -170.94339462 
       -170.95116136 
   
  
  
      17.02   17.02
      17.92   17.92
   
       -170.95561996 
       -170.94374637 
       -170.95166209 
   
  
  
      16.67   16.67
      17.53   17.53
   
       -170.95576784 
       -170.94378159 
       -170.95177242 
   
  
  
      16.51   16.51
      17.33   17.33
   
       -170.95585922 
       -170.94364370 
       -170.95178738 
   
  
  
      16.32   16.32
      17.21   17.20
   
       -170.95591568 
       -170.94358095 
       -170.95180410 
   
  
  
      13.85   13.84
      14.70   14.69
   
       -170.95594709 
       -170.94346718 
       -170.95178712 
   
  
  
      14.16   14.16
      15.03   15.03
   
       -170.95601703 
       -170.94345762 
       -170.95183056 
   
  
  
      12.84   12.84
      13.71   13.71
   
       -170.95607608 
       -170.94342935 
       -170.95186050