vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 30 
  12:31:14 
 
 
  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 
    
   
   
           0.61818017       0.52312213       0.51320257 
           0.10261573       0.11247064       0.42638348 
           0.15809923       0.63376324       0.18951876 
           0.83143032       0.50874327       0.26009091 
           0.49869777       0.36130580       0.95451055 
           0.37467375       0.79054873       0.51336127 
           0.82137142       0.08336819       0.11106756 
           0.85240381       0.25573258       0.96517683 
           0.16088593       0.09879864       0.18253422 
           0.61541479       0.00799348       0.77235352 
           0.46239643       0.78430633       0.15352516 
           0.55077043       0.50843752       0.04780899 
           0.06460917       0.99900455       0.03955835 
           0.06424376       0.36065943       0.34321794 
           0.69184203       0.46927190       0.96430210 
           0.84574032       0.43650972       0.43495271 
           0.52362903       0.53502054       0.53673324 
           0.42776248       0.17768719       0.78489060 
           0.26788411       0.00234569       0.85344856 
           0.41504131       0.53172074       0.17995402 
           0.08133176       0.10259050       0.45015674 
           0.89563129       0.94876956       0.81694173 
           0.95244428       0.22482506       0.36772986 
           0.29173742       0.00418005       0.81188045 
           0.24634373       0.88744430       0.30902913 
           0.13650754       0.35204081       0.15394883 
           0.96120309       0.31752922       0.33267329 
           0.73715389       0.84736534       0.81724321 
           0.51532323       0.62625861       0.99443965 
           0.86134729       0.73091932       0.10034919 
           0.60450647       0.06509307       0.48304077 
           0.81673606       0.16609157       0.48306504 
           0.27541645       0.58446512       0.51600843 
           0.59699173       0.92081696       0.10904088 
           0.74341232       0.73184063       0.64268768 
   
  
  
           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 
   
  
  
          0.61818017       0.52312213       0.51320257 
          0.10261573       0.11247064       0.42638348 
          0.15809923       0.63376324       0.18951876 
          0.83143032       0.50874327       0.26009091 
          0.49869777       0.36130580       0.95451055 
          0.37467375       0.79054873       0.51336127 
          0.82137142       0.08336819       0.11106756 
          0.85240381       0.25573258       0.96517683 
          0.16088593       0.09879864       0.18253422 
          0.61541479       0.00799348       0.77235352 
          0.46239643       0.78430633       0.15352516 
          0.55077043       0.50843752       0.04780899 
          0.06460917       0.99900455       0.03955835 
          0.06424376       0.36065943       0.34321794 
          0.69184203       0.46927190       0.96430210 
          0.84574032       0.43650972       0.43495271 
          0.52362903       0.53502054       0.53673324 
          0.42776248       0.17768719       0.78489060 
          0.26788411       0.00234569       0.85344856 
          0.41504131       0.53172074       0.17995402 
          0.08133176       0.10259050       0.45015674 
          0.89563129       0.94876956       0.81694173 
          0.95244428       0.22482506       0.36772986 
          0.29173742       0.00418005       0.81188045 
          0.24634373       0.88744430       0.30902913 
          0.13650754       0.35204081       0.15394883 
          0.96120309       0.31752922       0.33267329 
          0.73715389       0.84736534       0.81724321 
          0.51532323       0.62625861       0.99443965 
          0.86134729       0.73091932       0.10034919 
          0.60450647       0.06509307       0.48304077 
          0.81673606       0.16609157       0.48306504 
          0.27541645       0.58446512       0.51600843 
          0.59699173       0.92081696       0.10904088 
          0.74341232       0.73184063       0.64268768 
  
 
 
  
       5.17    5.18
       5.84    5.85
   
         24.76344702 
       -855.60635656 
      -1607.53788167 
       -300.81112846 
       3170.77911944 
      -2609.61052727 
          0.00273382 
       -158.14532694 
       3755.32434067 
       1419.15842005 
       1419.15568623 
       1419.15750878 
   
  
  
       6.66    6.67
       6.66    6.67
   
        818.38768202 
        818.38520981 
        818.38685795 
   
  
  
       7.92    7.93
       7.92    7.93
   
        685.05018423 
        685.07022804 
        685.05686550 
   
  
  
       7.56    7.57
       7.56    7.57
   
        661.33630790 
        661.36003201 
        661.34421594 
   
  
  
       6.48    6.49
       6.59    6.61
   
        660.20650501 
        660.22109575 
        660.21136859 
   
  
  
       7.57    7.58
       8.01    8.02
   
        647.99495885 
        647.98820805 
        647.99270858 
   
  
  
       7.31    7.35
       7.67    7.71
   
        683.61189055 
        683.63639335 
        683.62005815 
   
  
  
       7.68    7.69
       8.05    8.06
   
        659.21434713 
        659.20024193 
        659.20964540 
   
  
  
       6.96    6.98
       7.35    7.39
   
        744.49645255 
        744.49829147 
        744.49706553 
   
  
  
       7.34    7.35
       7.73    7.75
   
        727.84257568 
        727.82200051 
        727.83571729 
   
  
  
       6.86    6.88
       7.23    7.26
   
        725.32579531 
        725.36800191 
        725.33986418 
   
  
  
       7.21    7.23
       7.58    7.60
   
        726.22718736 
        726.21510903 
        726.22316125 
   
  
  
       7.37    7.39
       7.74    7.76
   
        736.64449339 
        736.64540344 
        736.64479674 
   
  
  
       7.19    7.21
       7.64    7.66
   
        711.52502228 
        711.51005345 
        711.52003267 
   
  
  
       7.34    7.37
       7.69    7.72
   
        705.74179598 
        705.71529672 
        705.73296289 
   
  
  
       7.08    7.12
       7.45    7.49
   
        711.04624233 
        711.00694939 
        711.03314469 
   
  
  
       6.74    6.77
       7.09    7.14
   
        718.97700492 
        718.94088819 
        718.96496601