vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  17:16:02 
 
 
  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      0.73000000      0.32000000
        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      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
  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 
    
   
   
           0.20810358       0.21170229       0.35127990 
           0.42693830       0.92705180       0.63714718 
           0.86451607       0.59911328       0.67271846 
           0.72487136       0.77070580       0.87921733 
           0.02152904       0.17633499       0.30126501 
           0.17551323       0.19529475       0.47339367 
           0.69471461       0.95466675       0.25316325 
           0.63520122       0.68519711       0.53192936 
           0.15983135       0.71891168       0.90250521 
           0.28542890       0.17683040       0.52075698 
           0.58208352       0.29315496       0.67251373 
           0.54766250       0.62554973       0.71344986 
           0.46188750       0.95610882       0.92926390 
           0.45341393       0.50071300       0.70234099 
           0.73723845       0.73006826       0.61422296 
           0.43385970       0.37063920       0.11392482 
           0.59519250       0.32426790       0.83305714 
           0.77359808       0.23647810       0.87851835 
           0.75292529       0.83047054       0.38512436 
           0.77588808       0.33801646       0.78581626 
           0.63661585       0.01048078       0.34622400 
           0.68765265       0.45896113       0.90495782 
           0.26636981       0.15036284       0.37856750 
           0.41108896       0.00139824       0.80801001 
           0.11939509       0.48447652       0.09047621 
           0.74208803       0.00021747       0.04957883 
           0.46863057       0.59580447       0.39076892 
           0.28482746       0.97628086       0.05337690 
           0.21244470       0.13616433       0.39095112 
           0.01472644       0.91599537       0.47188473 
           0.31478498       0.77214919       0.96637315 
           0.11970742       0.29540627       0.26097753 
           0.91310035       0.25689079       0.05650734 
           0.65510212       0.72964021       0.33719103 
           0.73485111       0.73709427       0.61528767 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
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          17 
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          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
       88
       -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  
          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      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
         -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      0.73000000      0.32000000
      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
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000      1.00000000
         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
    O    2
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           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 
   
  
  
          0.20810358       0.21170229       0.35127990 
          0.42693830       0.92705180       0.63714718 
          0.86451607       0.59911328       0.67271846 
          0.72487136       0.77070580       0.87921733 
          0.02152904       0.17633499       0.30126501 
          0.17551323       0.19529475       0.47339367 
          0.69471461       0.95466675       0.25316325 
          0.63520122       0.68519711       0.53192936 
          0.15983135       0.71891168       0.90250521 
          0.28542890       0.17683040       0.52075698 
          0.58208352       0.29315496       0.67251373 
          0.54766250       0.62554973       0.71344986 
          0.46188750       0.95610882       0.92926390 
          0.45341393       0.50071300       0.70234099 
          0.73723845       0.73006826       0.61422296 
          0.43385970       0.37063920       0.11392482 
          0.59519250       0.32426790       0.83305714 
          0.77359808       0.23647810       0.87851835 
          0.75292529       0.83047054       0.38512436 
          0.77588808       0.33801646       0.78581626 
          0.63661585       0.01048078       0.34622400 
          0.68765265       0.45896113       0.90495782 
          0.26636981       0.15036284       0.37856750 
          0.41108896       0.00139824       0.80801001 
          0.11939509       0.48447652       0.09047621 
          0.74208803       0.00021747       0.04957883 
          0.46863057       0.59580447       0.39076892 
          0.28482746       0.97628086       0.05337690 
          0.21244470       0.13616433       0.39095112 
          0.01472644       0.91599537       0.47188473 
          0.31478498       0.77214919       0.96637315 
          0.11970742       0.29540627       0.26097753 
          0.91310035       0.25689079       0.05650734 
          0.65510212       0.72964021       0.33719103 
          0.73485111       0.73709427       0.61528767 
  
 
 
  
       5.21    5.30
       5.67    5.76
   
         24.76344702 
       -141.00812073 
      -2229.36531865 
       -286.37559048 
       3170.77583059 
      -2609.60722799 
         -0.00380195 
       -273.49073914 
       3755.32434067 
       1411.01281935 
       1411.01662129 
       1411.01408666 
   
  
  
       8.16    8.21
       8.16    8.21
   
        674.72008394 
        674.73709548 
        674.72575446 
   
  
  
       9.24    9.31
       9.24    9.31
   
        503.87792924 
        503.89826550 
        503.88470799 
   
  
  
       8.11    8.16
       8.11    8.17
   
        490.93181221 
        490.96345495 
        490.94235979 
   
  
  
       8.56    8.61
       8.66    8.72
   
        490.17555048 
        490.19291423 
        490.18133840 
   
  
  
       8.09    8.15
       8.68    8.75
   
        525.83436752 
        525.80552742 
        525.82475415 
   
  
  
       9.64    9.69
      10.21   10.26
   
        180.86212409 
        180.85280895 
        180.85901905 
   
  
  
       8.34    8.39
       8.93    8.99
   
        646.70662716 
        646.70537378 
        646.70620937 
   
  
  
       7.85    7.90
       8.44    8.50
   
        593.42167286 
        593.48418244 
        593.44250939 
   
  
  
       7.48    7.54
       8.05    8.12
   
        598.64693367 
        598.62304901 
        598.63897211 
   
  
  
       7.72    7.78
       8.31    8.37
   
        600.49583694 
        600.45946498 
        600.48371295 
   
  
  
       7.77    7.82
       8.36    8.42
   
        607.65178330 
        607.67325251 
        607.65893970 
   
  
  
       8.26    8.33
       8.84    8.90
   
        600.37049327 
        600.35364905 
        600.36487853 
   
  
  
       7.49    7.55
       8.07    8.13
   
        608.08533377 
        608.10753437 
        608.09273397 
   
  
  
       7.16    7.23
       7.72    7.79
   
        616.50181352 
        616.52528287 
        616.50963664 
   
  
  
       7.27    7.32
       7.83    7.89
   
        613.17207970 
        613.20189869 
        613.18201936 
   
  
  
       7.78    7.85
       8.37    8.43
   
        609.96501150 
        609.98098219 
        609.97033506 
   
  
  
       7.01    7.08
       7.62    7.70
   
        607.99062664 
        608.00122000 
        607.99415776 
   
  
  
       8.38    8.44
       8.97    9.03
   
        616.78189035 
        616.78790636 
        616.78389569