vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 31 
  07:28:06 
 
 
  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 
    
   
   
           0.92971209       0.52740258       0.10737831 
           0.85006091       0.23301057       0.42780846 
           0.13627241       0.44787231       0.19583398 
           0.09291080       0.28300277       0.33389724 
           0.81801709       0.33225332       0.02672910 
           0.95693134       0.42116198       0.51835509 
           0.08181060       0.33310447       0.13727190 
           0.19881146       0.40678778       0.39029941 
           0.83204979       0.54502290       0.52300494 
           0.77178067       0.24335536       0.88194166 
           0.06264857       0.51006935       0.65292268 
           0.01411341       0.20530256       0.76033443 
           0.90187751       0.30996825       0.59322863 
           0.86353610       0.44306859       0.95538730 
           0.13859961       0.32323511       0.73682195 
           0.09801022       0.43434401       0.81915655 
           0.42221145       0.46120097       0.12185411 
           0.36346476       0.29035936       0.42138357 
           0.69004710       0.48278028       0.20811228 
           0.64187896       0.31238316       0.34104728 
           0.32620634       0.31672768       0.01094838 
           0.43363570       0.43847247       0.52067296 
           0.56230469       0.34629672       0.14214012 
           0.69263306       0.42951743       0.40113758 
           0.31834239       0.55561336       0.55093372 
           0.27394306       0.23107809       0.86474594 
           0.59932333       0.51654444       0.65602352 
           0.53812728       0.20859208       0.75221630 
           0.39649991       0.32855167       0.62294512 
           0.36781888       0.42585931       0.92047353 
           0.66888279       0.32560288       0.72700059 
           0.63044519       0.43557406       0.81485809 
           0.65345445       0.70496042       0.62620080 
           0.67437229       0.71941709       0.55697279 
           0.45472605       0.58017876       0.67185389 
   
  
  
           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 
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          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
      105
       -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
  
  
        3
        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
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    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 
   
  
  
          0.92971209       0.52740258       0.10737831 
          0.85006091       0.23301057       0.42780846 
          0.13627241       0.44787231       0.19583398 
          0.09291080       0.28300277       0.33389724 
          0.81801709       0.33225332       0.02672910 
          0.95693134       0.42116198       0.51835509 
          0.08181060       0.33310447       0.13727190 
          0.19881146       0.40678778       0.39029941 
          0.83204979       0.54502290       0.52300494 
          0.77178067       0.24335536       0.88194166 
          0.06264857       0.51006935       0.65292268 
          0.01411341       0.20530256       0.76033443 
          0.90187751       0.30996825       0.59322863 
          0.86353610       0.44306859       0.95538730 
          0.13859961       0.32323511       0.73682195 
          0.09801022       0.43434401       0.81915655 
          0.42221145       0.46120097       0.12185411 
          0.36346476       0.29035936       0.42138357 
          0.69004710       0.48278028       0.20811228 
          0.64187896       0.31238316       0.34104728 
          0.32620634       0.31672768       0.01094838 
          0.43363570       0.43847247       0.52067296 
          0.56230469       0.34629672       0.14214012 
          0.69263306       0.42951743       0.40113758 
          0.31834239       0.55561336       0.55093372 
          0.27394306       0.23107809       0.86474594 
          0.59932333       0.51654444       0.65602352 
          0.53812728       0.20859208       0.75221630 
          0.39649991       0.32855167       0.62294512 
          0.36781888       0.42585931       0.92047353 
          0.66888279       0.32560288       0.72700059 
          0.63044519       0.43557406       0.81485809 
          0.65345445       0.70496042       0.62620080 
          0.67437229       0.71941709       0.55697279 
          0.45472605       0.58017876       0.67185389 
  
 
 
  
      12.42   12.44
      13.23   13.25
   
         24.76344702 
       8965.53540827 
     -12248.08267514 
       -264.23522774 
       3167.08814863 
      -2605.71786812 
         -0.00312863 
       -196.62854936 
       3755.32434067 
        598.04389561 
        598.04702425 
        598.04493849 
   
  
  
      15.50   15.51
      15.50   15.51
   
        -89.58731236 
        -89.58512603 
        -89.58658358 
   
  
  
      14.74   14.78
      14.74   14.78
   
       -163.06643817 
       -163.04130420 
       -163.05806018 
   
  
  
      15.40   15.43
      15.40   15.43
   
       -166.07256556 
       -166.04537027 
       -166.06350047 
   
  
  
      15.96   16.00
      16.12   16.17
   
       -166.22015806 
       -166.19292380 
       -166.21107997 
   
  
  
      14.85   14.90
      16.08   16.14
   
      -4557.05113356 
      -4557.03883264 
      -4557.04703325 
   
  
  
      15.48   15.53
      16.34   16.40
   
      -2917.42022288 
      -2917.43368701 
      -2917.42471092 
   
  
  
      15.72   15.77
      16.61   16.66
   
       -675.04783299 
       -675.02094603 
       -675.03887067 
   
  
  
      14.51   14.56
      15.42   15.47
   
       -135.16719916 
       -135.18677391 
       -135.17372407 
   
  
  
      14.43   14.47
      15.29   15.34
   
       -133.71990535 
       -133.71695864 
       -133.71892311 
   
  
  
      14.54   14.58
      15.40   15.44
   
       -141.50628344 
       -141.48053529 
       -141.49770073 
   
  
  
      14.10   14.16
      15.03   15.09
   
       -144.02270308 
       -144.00665988 
       -144.01735534 
   
  
  
      14.32   14.39
      15.20   15.27
   
       -151.22197694 
       -151.21806548 
       -151.22067312 
   
  
  
      13.46   13.51
      14.43   14.48
   
       -139.50124914 
       -139.50924525 
       -139.50391451 
   
  
  
      12.68   12.72
      13.61   13.65
   
       -150.55431991 
       -150.55996801 
       -150.55620261 
   
  
  
      13.06   13.09
      13.92   13.95
   
       -155.62283143 
       -155.62868893 
       -155.62478393 
   
  
  
      13.18   13.24
      14.11   14.16
   
       -160.83215616 
       -160.85858593 
       -160.84096608 
   
  
  
      13.92   13.94
      14.84   14.87
   
       -162.58176322 
       -162.60648962 
       -162.59000535 
   
  
  
      13.46   13.50
      14.36   14.39
   
       -163.32887277 
       -163.35448535 
       -163.33741030 
   
  
  
      13.01   13.06
      14.03   14.08
   
       -163.14553412 
       -163.12508469 
       -163.13871764 
   
  
  
      13.58   13.64
      14.67   14.73
   
       -164.92221464 
       -164.94769725 
       -164.93070884 
   
  
  
      13.71   13.75
      15.41   15.45
   
       -166.13040931 
       -166.15542563 
       -166.13874808