vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 30 
  22:22:14 
 
 
  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 
    
   
   
           0.66529771       0.50864501       0.00173113 
           0.12631745       0.08209373       0.93906125 
           0.74796541       0.37348441       0.64713756 
           0.49926959       0.36047139       0.42401267 
           0.07803208       0.42986392       0.52978917 
           0.25626782       0.35978224       0.61984010 
           0.79348054       0.28147595       0.33558603 
           0.54946281       0.63504260       0.96524335 
           0.07863899       0.61889578       0.70906926 
           0.88602031       0.13980165       0.63418851 
           0.96532683       0.89293651       0.25297587 
           0.38889805       0.24898078       0.57773727 
           0.76709956       0.21131409       0.20999755 
           0.17742404       0.58536075       0.59792968 
           0.62819061       0.38414935       0.48599161 
           0.55600645       0.56989798       0.33828979 
           0.01178333       0.29017679       0.51305361 
           0.82165593       0.13735826       0.26488295 
           0.82160866       0.18234229       0.89797625 
           0.76428705       0.75703400       0.62953324 
           0.32832314       0.48794859       0.34463560 
           0.70713933       0.27142387       0.33095373 
           0.02026327       0.00081623       0.27297646 
           0.87149413       0.34581491       0.30962007 
           0.42735782       0.85184276       0.19223187 
           0.43878218       0.46916715       0.85829820 
           0.53931853       0.57059872       0.47553613 
           0.37929653       0.31051665       0.61224338 
           0.53363241       0.07127311       0.13445732 
           0.73873448       0.70472667       0.10988208 
           0.11221349       0.40878140       0.91129031 
           0.04641308       0.64425516       0.75745095 
           0.99176731       0.70709112       0.47589996 
           0.29341748       0.98775626       0.11169848 
           0.44370872       0.22810950       0.52125372 
   
  
  
           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 
   
  
  
          0.66529771       0.50864501       0.00173113 
          0.12631745       0.08209373       0.93906125 
          0.74796541       0.37348441       0.64713756 
          0.49926959       0.36047139       0.42401267 
          0.07803208       0.42986392       0.52978917 
          0.25626782       0.35978224       0.61984010 
          0.79348054       0.28147595       0.33558603 
          0.54946281       0.63504260       0.96524335 
          0.07863899       0.61889578       0.70906926 
          0.88602031       0.13980165       0.63418851 
          0.96532683       0.89293651       0.25297587 
          0.38889805       0.24898078       0.57773727 
          0.76709956       0.21131409       0.20999755 
          0.17742404       0.58536075       0.59792968 
          0.62819061       0.38414935       0.48599161 
          0.55600645       0.56989798       0.33828979 
          0.01178333       0.29017679       0.51305361 
          0.82165593       0.13735826       0.26488295 
          0.82160866       0.18234229       0.89797625 
          0.76428705       0.75703400       0.62953324 
          0.32832314       0.48794859       0.34463560 
          0.70713933       0.27142387       0.33095373 
          0.02026327       0.00081623       0.27297646 
          0.87149413       0.34581491       0.30962007 
          0.42735782       0.85184276       0.19223187 
          0.43878218       0.46916715       0.85829820 
          0.53931853       0.57059872       0.47553613 
          0.37929653       0.31051665       0.61224338 
          0.53363241       0.07127311       0.13445732 
          0.73873448       0.70472667       0.10988208 
          0.11221349       0.40878140       0.91129031 
          0.04641308       0.64425516       0.75745095 
          0.99176731       0.70709112       0.47589996 
          0.29341748       0.98775626       0.11169848 
          0.44370872       0.22810950       0.52125372 
  
 
 
  
       4.79    4.81
       5.61    5.63
   
         24.76344702 
       1284.68944478 
      -4020.51488294 
       -286.97652253 
       3170.77911944 
      -2609.61052727 
          0.00065279 
       -222.77867648 
       3755.32434067 
       1095.67639548 
       1095.67574269 
       1095.67617789 
   
  
  
       6.94    6.95
       6.94    6.95
   
        369.41299278 
        369.42074893 
        369.41557817 
   
  
  
       7.38    7.39
       7.38    7.39
   
        216.70728222 
        216.68573006 
        216.70009817 
   
  
  
       7.24    7.26
       7.24    7.26
   
        204.33609278 
        204.30087834 
        204.32435464 
   
  
  
       6.97    6.98
       7.07    7.08
   
        203.73268504 
        203.68970154 
        203.71835721 
   
  
  
       7.40    7.42
       7.92    7.93
   
        249.87583596 
        249.88333395 
        249.87833529 
   
  
  
       7.32    7.33
       7.67    7.69
   
        178.16625148 
        178.19710868 
        178.17653721 
   
  
  
       6.65    6.67
       7.01    7.03
   
        303.32804639 
        303.32974227 
        303.32861168 
   
  
  
       6.76    6.81
       7.20    7.25
   
        296.39343427 
        296.34456540 
        296.37714465 
   
  
  
       6.48    6.50
       6.92    6.94
   
        295.50547802 
        295.49871545 
        295.50322383 
   
  
  
       6.84    6.88
       7.25    7.31
   
        295.90970339 
        295.86738040 
        295.89559573 
   
  
  
       6.73    6.75
       7.09    7.11
   
        296.24459590 
        296.23129262 
        296.24016148