vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 31 
  06:24:13 
 
 
  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 
    
   
   
           0.92969921       0.52739720       0.10698203 
           0.84952400       0.23301539       0.42772725 
           0.13617291       0.44780403       0.19594197 
           0.09230709       0.28314372       0.33399558 
           0.81779721       0.33195968       0.02685653 
           0.95658767       0.42105190       0.51809577 
           0.08168061       0.33307339       0.13719776 
           0.19888492       0.40647763       0.39033132 
           0.83201178       0.54501544       0.52378922 
           0.77180323       0.24323029       0.88179668 
           0.06311545       0.50995054       0.65283963 
           0.01398145       0.20528831       0.75985727 
           0.90193385       0.30985477       0.59323823 
           0.86337596       0.44280034       0.95546213 
           0.13865244       0.32319572       0.73688534 
           0.09781257       0.43421066       0.81929537 
           0.42228518       0.46078996       0.12190731 
           0.36338449       0.29024216       0.42138178 
           0.69044697       0.48259031       0.20825704 
           0.64173784       0.31245970       0.34104229 
           0.32611025       0.31652127       0.01079433 
           0.43365801       0.43856489       0.52091025 
           0.56229635       0.34653515       0.14220582 
           0.69232120       0.42935065       0.40134009 
           0.31764505       0.55553324       0.55039137 
           0.27361137       0.23097572       0.86447328 
           0.59906003       0.51652946       0.65650162 
           0.53800073       0.20841018       0.75241789 
           0.39622180       0.32884489       0.62278203 
           0.36775981       0.42557243       0.92039927 
           0.66854119       0.32538926       0.72670104 
           0.63031255       0.43535609       0.81502717 
           0.65588137       0.70721341       0.62112728 
           0.67495434       0.71990791       0.56155051 
           0.45589138       0.58041645       0.67238979 
   
  
  
           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
      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
         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 
   
  
  
          0.92969921       0.52739720       0.10698203 
          0.84952400       0.23301539       0.42772725 
          0.13617291       0.44780403       0.19594197 
          0.09230709       0.28314372       0.33399558 
          0.81779721       0.33195968       0.02685653 
          0.95658767       0.42105190       0.51809577 
          0.08168061       0.33307339       0.13719776 
          0.19888492       0.40647763       0.39033132 
          0.83201178       0.54501544       0.52378922 
          0.77180323       0.24323029       0.88179668 
          0.06311545       0.50995054       0.65283963 
          0.01398145       0.20528831       0.75985727 
          0.90193385       0.30985477       0.59323823 
          0.86337596       0.44280034       0.95546213 
          0.13865244       0.32319572       0.73688534 
          0.09781257       0.43421066       0.81929537 
          0.42228518       0.46078996       0.12190731 
          0.36338449       0.29024216       0.42138178 
          0.69044697       0.48259031       0.20825704 
          0.64173784       0.31245970       0.34104229 
          0.32611025       0.31652127       0.01079433 
          0.43365801       0.43856489       0.52091025 
          0.56229635       0.34653515       0.14220582 
          0.69232120       0.42935065       0.40134009 
          0.31764505       0.55553324       0.55039137 
          0.27361137       0.23097572       0.86447328 
          0.59906003       0.51652946       0.65650162 
          0.53800073       0.20841018       0.75241789 
          0.39622180       0.32884489       0.62278203 
          0.36775981       0.42557243       0.92039927 
          0.66854119       0.32538926       0.72670104 
          0.63031255       0.43535609       0.81502717 
          0.65588137       0.70721341       0.62112728 
          0.67495434       0.71990791       0.56155051 
          0.45589138       0.58041645       0.67238979 
  
 
 
  
      12.42   12.44
      13.15   13.17
   
         24.76344702 
       8964.93170194 
     -12245.70687768 
       -264.15453045 
       3167.08814863 
      -2605.71786812 
         -0.00481995 
       -197.48141182 
       3755.32434067 
        599.04213024 
        599.04695019 
        599.04373689 
   
  
  
      15.53   15.54
      15.53   15.54
   
        -88.82083824 
        -88.82098989 
        -88.82088879 
   
  
  
      14.82   14.83
      14.82   14.83
   
       -162.20706802 
       -162.18182848 
       -162.19865484 
   
  
  
      15.34   15.37
      15.35   15.37
   
       -165.21253528 
       -165.18513750 
       -165.20340269 
   
  
  
      15.69   15.72
      15.84   15.87
   
       -165.36027390 
       -165.33283499 
       -165.35112760 
   
  
  
      12.96   13.01
      14.17   14.22
   
       -137.80001081 
       -137.79157155 
       -137.79719772 
   
  
  
      15.30   15.34
      16.28   16.31
   
      -1482.68685030 
      -1482.66970235 
      -1482.68113432 
   
  
  
      14.70   14.76
      15.71   15.77
   
       -125.91866737 
       -125.90510751 
       -125.91414742 
   
  
  
      14.12   14.18
      15.03   15.10
   
       -140.46559250 
       -140.44112820 
       -140.45743773 
   
  
  
      12.32   12.37
      13.25   13.30
   
       -145.63408405 
       -145.61335353 
       -145.62717388 
   
  
  
      15.11   15.14
      16.00   16.03
   
       -156.58633218 
       -156.58760463 
       -156.58675633 
   
  
  
      11.05   11.09
      11.91   11.96
   
       -150.41067474 
       -150.41906075 
       -150.41347008 
   
  
  
      12.24   12.28
      13.08   13.12
   
       -157.78998931 
       -157.79437504 
       -157.79145122 
   
  
  
      12.92   12.94
      13.84   13.86
   
       -177.13618173 
       -177.16327724 
       -177.14521357 
   
  
  
      11.42   11.48
      12.32   12.38
   
       -169.49714575 
       -169.52434805 
       -169.50621318 
   
  
  
      11.81   11.87
      12.72   12.78
   
       -169.10792185 
       -169.13464671 
       -169.11683014 
   
  
  
      12.15   12.19
      13.04   13.08
   
       -172.11363815 
       -172.14049741 
       -172.12259124 
   
  
  
      11.78   11.83
      12.71   12.76
   
       -173.27982765 
       -173.30671505 
       -173.28879012 
   
  
  
      11.87   11.93
      12.81   12.87
   
       -171.94410953 
       -171.97092689 
       -171.95304865 
   
  
  
      11.04   11.08
      11.98   12.02
   
       -168.16262679 
       -168.18970099 
       -168.17165152 
   
  
  
      10.72   10.76
      11.67   11.71
   
       -219.83255668 
       -219.79815267 
       -219.82108868 
   
  
  
      12.27   12.30
      13.26   13.30
   
       -171.38904707 
       -171.41577272 
       -171.39795562 
   
  
  
      10.89   10.94
      12.03   12.08
   
       -173.00445817 
       -172.98605080 
       -172.99832238