vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 30 
  12:31:12 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       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 
    
   
   
           0.91794844       0.78934854       0.27989719 
           0.63958103       0.64766944       0.71174340 
           0.93334033       0.20609538       0.10585034 
           0.74398406       0.55989592       0.09053015 
           0.08807679       0.38724153       0.75168436 
           0.15650085       0.35322744       0.98944958 
           0.52910718       0.16522675       0.68043316 
           0.54513931       0.85635054       0.63965084 
           0.59111624       0.00076977       0.23153141 
           0.50373007       0.66028268       0.36655076 
           0.15724987       0.42981773       0.31953919 
           0.77545160       0.47108058       0.39640212 
           0.57540218       0.50282599       0.26931066 
           0.39136249       0.01636393       0.21803407 
           0.21238261       0.40127056       0.97830319 
           0.27015435       0.92233350       0.35817118 
           0.85966511       0.99886920       0.79545060 
           0.63664471       0.24445454       0.83841602 
           0.19648266       0.77096576       0.46036579 
           0.54187762       0.13982366       0.29765116 
           0.01191016       0.09518277       0.45690571 
           0.44766712       0.39384737       0.91925939 
           0.49544321       0.95258110       0.99356428 
           0.11185563       0.95776654       0.59691281 
           0.03452069       0.37168333       0.40057856 
           0.96957116       0.35259264       0.61563617 
           0.97373192       0.47663499       0.64466527 
           0.18153171       0.93785396       0.34645183 
           0.45090433       0.07129302       0.03323190 
           0.08772749       0.69898504       0.78354136 
           0.33235077       0.82916591       0.14862736 
           0.76908868       0.51635960       0.19354927 
           0.80981625       0.94721050       0.58549751 
           0.01718913       0.74005935       0.25848608 
           0.05825078       0.05629844       0.90665143 
   
  
  
           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
       87
       -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
   
   
         1
     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
           0.00000003
           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      0.32000000      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
         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 
   
  
  
          0.91794844       0.78934854       0.27989719 
          0.63958103       0.64766944       0.71174340 
          0.93334033       0.20609538       0.10585034 
          0.74398406       0.55989592       0.09053015 
          0.08807679       0.38724153       0.75168436 
          0.15650085       0.35322744       0.98944958 
          0.52910718       0.16522675       0.68043316 
          0.54513931       0.85635054       0.63965084 
          0.59111624       0.00076977       0.23153141 
          0.50373007       0.66028268       0.36655076 
          0.15724987       0.42981773       0.31953919 
          0.77545160       0.47108058       0.39640212 
          0.57540218       0.50282599       0.26931066 
          0.39136249       0.01636393       0.21803407 
          0.21238261       0.40127056       0.97830319 
          0.27015435       0.92233350       0.35817118 
          0.85966511       0.99886920       0.79545060 
          0.63664471       0.24445454       0.83841602 
          0.19648266       0.77096576       0.46036579 
          0.54187762       0.13982366       0.29765116 
          0.01191016       0.09518277       0.45690571 
          0.44766712       0.39384737       0.91925939 
          0.49544321       0.95258110       0.99356428 
          0.11185563       0.95776654       0.59691281 
          0.03452069       0.37168333       0.40057856 
          0.96957116       0.35259264       0.61563617 
          0.97373192       0.47663499       0.64466527 
          0.18153171       0.93785396       0.34645183 
          0.45090433       0.07129302       0.03323190 
          0.08772749       0.69898504       0.78354136 
          0.33235077       0.82916591       0.14862736 
          0.76908868       0.51635960       0.19354927 
          0.80981625       0.94721050       0.58549751 
          0.01718913       0.74005935       0.25848608 
          0.05825078       0.05629844       0.90665143 
  
 
 
  
       5.17    5.18
       6.13    6.15
   
         24.76344702 
      -1653.97870029 
      -1509.21862990 
       -294.88945262 
       3170.77911944 
      -2609.61052727 
          0.00846912 
       -177.91975647 
       3755.32434067 
        705.25830970 
        705.24984058 
        705.25548666 
   
  
  
       6.21    6.22
       6.21    6.22
   
        143.81720324 
        143.81958386 
        143.81799678 
   
  
  
       7.39    7.40
       7.39    7.40
   
         52.26477913 
         52.26797784 
         52.26584537 
   
  
  
       7.45    7.45
       7.45    7.45
   
         45.72478643 
         45.73464116 
         45.72807134 
   
  
  
       6.65    6.67
       6.75    6.76
   
         45.47111994 
         45.48170956 
         45.47464981 
   
  
  
       7.34    7.35
       7.81    7.82
   
         67.29972299 
         67.34268299 
         67.31404299 
   
  
  
       7.42    7.43
       7.93    7.95
   
        -91.84811874 
        -91.83955204 
        -91.84526317 
   
  
  
       7.09    7.11
       7.49    7.50
   
         50.05971540 
         50.04932609 
         50.05625229 
   
  
  
       6.45    6.47
       6.86    6.89
   
         71.08898843 
         71.09322263 
         71.09039983 
   
  
  
       6.62    6.64
       7.01    7.03
   
         79.11174206 
         79.12604180 
         79.11650864 
   
  
  
       6.82    6.85
       7.23    7.26
   
         82.68052315 
         82.70286633 
         82.68797088 
   
  
  
       7.00    7.05
       7.46    7.51
   
         85.00506548 
         84.99915863 
         85.00309653 
   
  
  
       6.45    6.48
       6.88    6.92
   
         85.03731342 
         85.06089050 
         85.04517245 
   
  
  
       6.17    6.18
       6.58    6.59
   
         84.59149222 
         84.59227345 
         84.59175263 
   
  
  
       7.35    7.38
       7.79    7.81
   
         85.52003197 
         85.53269686 
         85.52425360 
   
  
  
       6.00    6.02
       6.40    6.43
   
         85.57551669 
         85.58683838 
         85.57929059 
   
  
  
       6.38    6.40
       6.85    6.87
   
         85.54331952 
         85.56469066 
         85.55044323