vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 31 
  04:13:28 
 
 
  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 
    
   
   
           0.92150807       0.52665375       0.10522415 
           0.85740502       0.23526180       0.43007224 
           0.13633379       0.45103148       0.19438012 
           0.09894706       0.28689521       0.33651509 
           0.82482352       0.33161471       0.02737287 
           0.95626671       0.42172636       0.51703372 
           0.08616423       0.33507279       0.13922563 
           0.19712929       0.40710384       0.38716889 
           0.83004273       0.54691565       0.52784176 
           0.77578404       0.24430995       0.88116338 
           0.06039219       0.50918178       0.65354542 
           0.02109373       0.20712615       0.76121804 
           0.90434567       0.31169398       0.59653398 
           0.86564006       0.44197998       0.95253749 
           0.14597896       0.32498653       0.73586070 
           0.10288818       0.43487171       0.82022800 
           0.41590056       0.47408774       0.11923788 
           0.37088508       0.27861175       0.42520478 
           0.68670967       0.47660512       0.20439472 
           0.64246727       0.31329932       0.34648098 
           0.33061048       0.32137620       0.01478039 
           0.43493776       0.43607214       0.51784078 
           0.57177531       0.34869008       0.14527381 
           0.69334418       0.43237107       0.40316914 
           0.31113300       0.54737439       0.54173197 
           0.27685918       0.23530270       0.86903107 
           0.59854310       0.52245613       0.66129217 
           0.53825922       0.20925112       0.75673308 
           0.39932353       0.32838891       0.61820775 
           0.36873383       0.42950884       0.92419495 
           0.66610872       0.32653523       0.72639324 
           0.62668613       0.43799399       0.81555963 
           0.64917414       0.68953214       0.63042017 
           0.63679470       0.69722839       0.55972719 
           0.45247114       0.58756118       0.64629700 
   
  
  
           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 
   
  
  
          0.92150807       0.52665375       0.10522415 
          0.85740502       0.23526180       0.43007224 
          0.13633379       0.45103148       0.19438012 
          0.09894706       0.28689521       0.33651509 
          0.82482352       0.33161471       0.02737287 
          0.95626671       0.42172636       0.51703372 
          0.08616423       0.33507279       0.13922563 
          0.19712929       0.40710384       0.38716889 
          0.83004273       0.54691565       0.52784176 
          0.77578404       0.24430995       0.88116338 
          0.06039219       0.50918178       0.65354542 
          0.02109373       0.20712615       0.76121804 
          0.90434567       0.31169398       0.59653398 
          0.86564006       0.44197998       0.95253749 
          0.14597896       0.32498653       0.73586070 
          0.10288818       0.43487171       0.82022800 
          0.41590056       0.47408774       0.11923788 
          0.37088508       0.27861175       0.42520478 
          0.68670967       0.47660512       0.20439472 
          0.64246727       0.31329932       0.34648098 
          0.33061048       0.32137620       0.01478039 
          0.43493776       0.43607214       0.51784078 
          0.57177531       0.34869008       0.14527381 
          0.69334418       0.43237107       0.40316914 
          0.31113300       0.54737439       0.54173197 
          0.27685918       0.23530270       0.86903107 
          0.59854310       0.52245613       0.66129217 
          0.53825922       0.20925112       0.75673308 
          0.39932353       0.32838891       0.61820775 
          0.36873383       0.42950884       0.92419495 
          0.66610872       0.32653523       0.72639324 
          0.62668613       0.43799399       0.81555963 
          0.64917414       0.68953214       0.63042017 
          0.63679470       0.69722839       0.55972719 
          0.45247114       0.58756118       0.64629700 
  
 
 
  
      14.92   14.95
      15.61   15.65
   
         24.76344702 
       8980.02654990 
     -12262.89284669 
       -264.20649597 
       3167.08814863 
      -2605.71786812 
         -0.00419622 
       -185.80573301 
       3755.32434067 
        608.57534623 
        608.57954244 
        608.57674497 
   
  
  
      18.38   18.38
      18.38   18.38
   
        -86.97005152 
        -86.97633286 
        -86.97214530 
   
  
  
      17.56   17.56
      17.56   17.56
   
       -162.47359223 
       -162.46163373 
       -162.46960606 
   
  
  
      18.20   18.20
      18.21   18.20
   
       -165.57937815 
       -165.56713441 
       -165.57529690 
   
  
  
      19.03   19.03
      19.19   19.19
   
       -165.73035764 
       -165.71810346 
       -165.72627292 
   
  
  
      16.56   16.56
      17.39   17.39
   
      -1366.49361131 
      -1366.49289750 
      -1366.49337337 
   
  
  
      17.22   17.22
      18.05   18.05
   
       -131.38280641 
       -131.37772469 
       -131.38111250 
   
  
  
      17.51   17.51
      18.33   18.33
   
       -140.94256887 
       -140.93827825 
       -140.94113866 
   
  
  
      16.48   16.48
      17.29   17.29
   
       -138.72956005 
       -138.70979752 
       -138.72297254 
   
  
  
      16.53   16.53
      17.35   17.35
   
       -145.06219786 
       -145.05758658 
       -145.06066077 
   
  
  
      19.42   19.42
      20.24   20.24
   
       -228.36599583 
       -228.36148972 
       -228.36449379 
   
  
  
      17.96   17.95
      18.81   18.81
   
       -504.32522602 
       -504.33614216 
       -504.32886473 
   
  
  
      16.72   16.72
      17.59   17.59
   
       -136.25133712 
       -136.24298260 
       -136.24855228 
   
  
  
      16.22   16.22
      17.07   17.07
   
       -152.05978555 
       -152.04159657 
       -152.05372256 
   
  
  
      16.14   16.14
      17.00   17.00
   
       -160.90175861 
       -160.90275628 
       -160.90209116 
   
  
  
      15.98   15.97
      16.81   16.81
   
       -166.55771801 
       -166.56147529 
       -166.55897044 
   
  
  
      16.37   16.37
      17.22   17.22
   
       -169.18447109 
       -169.21097545 
       -169.19330588 
   
  
  
      15.79   15.79
      16.69   16.69
   
       -168.04995910 
       -168.08487403 
       -168.06159741 
   
  
  
      18.19   18.18
      19.04   19.04
   
       -168.06739352 
       -168.10237061 
       -168.07905255 
   
  
  
      15.94   15.94
      16.79   16.79
   
       -171.11553258 
       -171.15102813 
       -171.12736443 
   
  
  
      16.02   16.01
      16.88   16.88
   
       -174.03419196 
       -174.07077452 
       -174.04638614 
   
  
  
      16.21   16.21
      17.06   17.06
   
       -177.56595130 
       -177.60244346 
       -177.57811535