vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 30 
  12:31:11 
 
 
  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 
    
   
   
           0.69678249       0.17843503       0.73761371 
           0.49461003       0.24500684       0.40973652 
           0.81676220       0.18178289       0.60561202 
           0.43427913       0.29648822       0.48640872 
           0.23077790       0.27155848       0.40963895 
           0.27666489       0.49634511       0.46788385 
           0.28299605       0.68230091       0.33791427 
           0.26363781       0.15077746       0.74185321 
           0.93188587       0.76139080       0.67173065 
           0.37803897       0.46241682       0.28197843 
           0.16614267       0.44294947       0.93024507 
           0.29625039       0.82038296       0.88998304 
           0.08431650       0.72239430       0.82646133 
           0.29678945       0.28216238       0.13934690 
           0.81422523       0.76853884       0.93943433 
           0.00334003       0.24663495       0.66706424 
           0.65123213       0.21897363       0.52442582 
           0.00138267       0.57886962       0.97562942 
           0.41956029       0.04537872       0.59840541 
           0.17690984       0.85818020       0.67898737 
           0.31243092       0.90555813       0.74129505 
           0.66393801       0.45116721       0.70706116 
           0.30886427       0.46632854       0.64798262 
           0.82847157       0.92587824       0.95583769 
           0.18522705       0.11957631       0.23987372 
           0.75847094       0.39196548       0.47438073 
           0.53119964       0.52081211       0.15992765 
           0.29363242       0.13361183       0.76366592 
           0.38149317       0.25453159       0.93656951 
           0.74071090       0.58484804       0.46719602 
           0.46138999       0.17314753       0.42709740 
           0.64771566       0.63838353       0.16424995 
           0.24402529       0.57064125       0.56151172 
           0.47772145       0.71886449       0.37287991 
           0.44466180       0.95544951       0.94845581 
   
  
  
           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 
   
  
  
          0.69678249       0.17843503       0.73761371 
          0.49461003       0.24500684       0.40973652 
          0.81676220       0.18178289       0.60561202 
          0.43427913       0.29648822       0.48640872 
          0.23077790       0.27155848       0.40963895 
          0.27666489       0.49634511       0.46788385 
          0.28299605       0.68230091       0.33791427 
          0.26363781       0.15077746       0.74185321 
          0.93188587       0.76139080       0.67173065 
          0.37803897       0.46241682       0.28197843 
          0.16614267       0.44294947       0.93024507 
          0.29625039       0.82038296       0.88998304 
          0.08431650       0.72239430       0.82646133 
          0.29678945       0.28216238       0.13934690 
          0.81422523       0.76853884       0.93943433 
          0.00334003       0.24663495       0.66706424 
          0.65123213       0.21897363       0.52442582 
          0.00138267       0.57886962       0.97562942 
          0.41956029       0.04537872       0.59840541 
          0.17690984       0.85818020       0.67898737 
          0.31243092       0.90555813       0.74129505 
          0.66393801       0.45116721       0.70706116 
          0.30886427       0.46632854       0.64798262 
          0.82847157       0.92587824       0.95583769 
          0.18522705       0.11957631       0.23987372 
          0.75847094       0.39196548       0.47438073 
          0.53119964       0.52081211       0.15992765 
          0.29363242       0.13361183       0.76366592 
          0.38149317       0.25453159       0.93656951 
          0.74071090       0.58484804       0.46719602 
          0.46138999       0.17314753       0.42709740 
          0.64771566       0.63838353       0.16424995 
          0.24402529       0.57064125       0.56151172 
          0.47772145       0.71886449       0.37287991 
          0.44466180       0.95544951       0.94845581 
  
 
 
  
       4.75    4.76
       5.57    5.58
   
         24.76344702 
       -784.88479626 
      -2201.79244267 
       -292.52536096 
       3170.77911944 
      -2609.61052727 
          0.01977542 
       -176.60084532 
       3755.32434067 
        885.47271007 
        885.45293465 
        885.46611826 
   
  
  
       6.44    6.45
       6.44    6.45
   
        283.63021193 
        283.61977013 
        283.62673133 
   
  
  
       7.53    7.54
       7.53    7.54
   
        178.93635756 
        178.95991704 
        178.94421072 
   
  
  
       7.27    7.28
       7.27    7.28
   
        165.96807665 
        166.01633401 
        165.98416244 
   
  
  
       6.89    6.90
       6.98    6.99
   
        165.44533449 
        165.48805713 
        165.45957537 
   
  
  
       7.78    7.79
       8.18    8.19
   
        152.76888074 
        152.78032145 
        152.77269431 
   
  
  
       7.99    8.01
       8.47    8.49
   
        -19.13227333 
        -19.12406965 
        -19.12953877 
   
  
  
       6.23    6.26
       6.62    6.65
   
        154.07526806 
        154.07258653 
        154.07437421 
   
  
  
       6.22    6.24
       6.62    6.65
   
        188.76719033 
        188.79781688 
        188.77739918 
   
  
  
       6.48    6.49
       6.89    6.91
   
        208.45186899 
        208.39314342 
        208.43229380 
   
  
  
       6.35    6.38
       6.77    6.80
   
        208.01703623 
        207.96528165 
        207.99978470 
   
  
  
       6.51    6.53
       6.95    6.97
   
        213.07456665 
        213.06005810 
        213.06973047 
   
  
  
       6.20    6.23
       6.61    6.65
   
        213.04405725 
        213.02786779 
        213.03866077 
   
  
  
       7.47    7.52
       7.94    8.00
   
        213.73992598 
        213.72128396 
        213.73371197 
   
  
  
       6.71    6.72
       7.09    7.11
   
        215.73316559 
        215.69871191 
        215.72168103 
   
  
  
       6.25    6.26
       6.62    6.64
   
        218.32684177 
        218.28401587 
        218.31256647 
   
  
  
       7.03    7.06
       7.39    7.42
   
        217.60837388 
        217.65111594 
        217.62262124 
   
  
  
       5.92    5.93
       6.28    6.30
   
        219.78061102 
        219.85640602 
        219.80587602