vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 30 
  22:22:16 
 
 
  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 
    
   
   
           0.67205994       0.58175427       0.17748917 
           0.35545814       0.22748897       0.54862947 
           0.25899487       0.61481229       0.44394543 
           0.96832168       0.49065846       0.10989335 
           0.36883496       0.12592177       0.52579319 
           0.92368168       0.51969436       0.40960101 
           0.56535016       0.31064949       0.75556934 
           0.03771317       0.36963148       0.18121954 
           0.00926473       0.19066618       0.67111670 
           0.30037502       0.24761319       0.01505685 
           0.64185060       0.19454695       0.65451137 
           0.27136304       0.94971338       0.76236329 
           0.20650164       0.68802514       0.00435008 
           0.27694554       0.24270631       0.27568926 
           0.52490445       0.08691168       0.19749536 
           0.01721994       0.18452766       0.25772344 
           0.93951402       0.22517815       0.22233475 
           0.58233077       0.38971632       0.26989038 
           0.20758394       0.61950545       0.64659764 
           0.46408364       0.76589822       0.33284213 
           0.15018136       0.43380002       0.22668630 
           0.23342404       0.57596290       0.95069679 
           0.69048271       0.30146421       0.24723561 
           0.28707982       0.32463467       0.37234337 
           0.18748490       0.21468735       0.49897800 
           0.01933127       0.35408302       0.95537408 
           0.15888224       0.25664941       0.17835049 
           0.37219075       0.18551176       0.40419118 
           0.01744612       0.59406756       0.00941765 
           0.93103319       0.44206360       0.50777706 
           0.76679416       0.40176384       0.24659260 
           0.10896517       0.49942634       0.61965912 
           0.44845499       0.32613185       0.17914998 
           0.66936460       0.87141552       0.53133257 
           0.82104469       0.30138645       0.60107330 
   
  
  
           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 
   
  
  
          0.67205994       0.58175427       0.17748917 
          0.35545814       0.22748897       0.54862947 
          0.25899487       0.61481229       0.44394543 
          0.96832168       0.49065846       0.10989335 
          0.36883496       0.12592177       0.52579319 
          0.92368168       0.51969436       0.40960101 
          0.56535016       0.31064949       0.75556934 
          0.03771317       0.36963148       0.18121954 
          0.00926473       0.19066618       0.67111670 
          0.30037502       0.24761319       0.01505685 
          0.64185060       0.19454695       0.65451137 
          0.27136304       0.94971338       0.76236329 
          0.20650164       0.68802514       0.00435008 
          0.27694554       0.24270631       0.27568926 
          0.52490445       0.08691168       0.19749536 
          0.01721994       0.18452766       0.25772344 
          0.93951402       0.22517815       0.22233475 
          0.58233077       0.38971632       0.26989038 
          0.20758394       0.61950545       0.64659764 
          0.46408364       0.76589822       0.33284213 
          0.15018136       0.43380002       0.22668630 
          0.23342404       0.57596290       0.95069679 
          0.69048271       0.30146421       0.24723561 
          0.28707982       0.32463467       0.37234337 
          0.18748490       0.21468735       0.49897800 
          0.01933127       0.35408302       0.95537408 
          0.15888224       0.25664941       0.17835049 
          0.37219075       0.18551176       0.40419118 
          0.01744612       0.59406756       0.00941765 
          0.93103319       0.44206360       0.50777706 
          0.76679416       0.40176384       0.24659260 
          0.10896517       0.49942634       0.61965912 
          0.44845499       0.32613185       0.17914998 
          0.66936460       0.87141552       0.53133257 
          0.82104469       0.30138645       0.60107330 
  
 
 
  
       5.27    5.29
       5.99    6.01
   
         24.76344702 
       3031.22553592 
      -6141.16648447 
       -277.73316443 
       3170.77911944 
      -2609.61052727 
         -0.00244757 
       -214.08207585 
       3755.32434067 
        739.49774346 
        739.50019103 
        739.49855931 
   
  
  
       6.59    6.60
       6.59    6.60
   
         48.72615277 
         48.73767716 
         48.72999423 
   
  
  
       7.13    7.15
       7.14    7.15
   
        -55.43844387 
        -55.45515415 
        -55.44401397 
   
  
  
       7.18    7.19
       7.18    7.19
   
        -62.29756662 
        -62.33274933 
        -62.30929419 
   
  
  
       6.72    6.73
       6.82    6.83
   
        -62.56798234 
        -62.60388024 
        -62.57994831 
   
  
  
       6.62    6.63
       7.12    7.13
   
        -32.16117072 
        -32.16942159 
        -32.16392101 
   
  
  
       7.05    7.07
       7.44    7.46
   
        -25.65441771 
        -25.67235365 
        -25.66039636 
   
  
  
       6.53    6.56
       6.92    6.95
   
        -16.65080594 
        -16.64676283 
        -16.64945823 
   
  
  
       6.79    6.82
       7.15    7.18
   
        -15.60252779 
        -15.61758674 
        -15.60754744 
   
  
  
       6.46    6.48
       6.83    6.86
   
        -16.44203095 
        -16.48687335 
        -16.45697841 
   
  
  
       6.48    6.51
       6.83    6.86
   
        -13.98620167 
        -14.03903852 
        -14.00381395 
   
  
  
       6.43    6.45
       6.80    6.83
   
        -13.58934080 
        -13.56135690 
        -13.58001283 
   
  
  
       5.87    5.97
       6.28    6.38
   
        -13.95784086 
        -13.92880377 
        -13.94816183