vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 11 25 
  22:03:11 
 
 
  H+ attach C2H5-O- of TEOS
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
       2
        0.00001000
       -0.02000000
     800
       2
       1
      400.00000000
        1.11000000      0.73000000      0.77000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           12.00000000       0.00000000       0.00000000 
            0.00000000      12.00000000       0.00000000 
            0.00000000       0.00000000      12.00000000 
    
       1728.00000000 
    
            0.08333333       0.00000000       0.00000000 
            0.00000000       0.08333333       0.00000000 
            0.00000000       0.00000000       0.08333333 
    
   
   
           0.59624296       0.52061730       0.47742361 
           0.66743401       0.64592682       0.40719896 
           0.63381351       0.51474404       0.62788366 
           0.64593240       0.39195746       0.41017007 
           0.44204084       0.51771320       0.46438199 
           0.58951337       0.74113323       0.37236555 
           0.64479123       0.81256090       0.28022470 
           0.65925334       0.62922985       0.67355276 
           0.58816322       0.65031622       0.77933477 
           0.76733809       0.39940054       0.38523933 
           0.82383042       0.47844669       0.46837697 
           0.39325022       0.61697059       0.51473473 
           0.40587317       0.71427250       0.43952046 
           0.51100914       0.70736864       0.34077051 
           0.57479294       0.79605854       0.44434187 
           0.58768895       0.87915504       0.25488143 
           0.66401429       0.76054476       0.20866125 
           0.72145628       0.84911173       0.31238849 
           0.74742292       0.63408283       0.69533407 
           0.64004050       0.69208037       0.61108836 
           0.60728099       0.73260691       0.81302147 
           0.60720079       0.58700450       0.84181363 
           0.49999247       0.64596844       0.75806974 
           0.80430292       0.31680498       0.39207626 
           0.77888817       0.43080447       0.30081929 
           0.91275661       0.48239072       0.45055621 
           0.81118610       0.44745504       0.55279089 
           0.78751128       0.56129421       0.46094248 
           0.31614336       0.57092058       0.50142370 
           0.35361000       0.63657035       0.59392897 
           0.34992925       0.78008657       0.46367189 
           0.38887841       0.68842964       0.35376750 
           0.48734109       0.74170915       0.44597185 
           0.46428344       0.60508104       0.57000732 
   
  
  
           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 
  
 
 
  
          2        2        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.50000000       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       0.50000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.50000000       0.50000000       0.00000000 
          0.00000000       0.50000000       0.50000000 
          0.50000000       0.00000000       0.50000000 
          0.50000000       0.50000000       0.50000000 
  
  
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
  
 
 
  
   H+ attach C2H5-O- of TEOS
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       11
       60
       -1
       -1
        81.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -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
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
       200
        -5
         2
        400.00000000
    
      T  
      F  
           0.00100000
           0.00000004
           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
   
  
  
       60
       60
       60
      120
      120
      120
    F  
  
  
      800
        2
        0
        2
         0.00000000
        -0.02000000
        1
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
      800
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      0.73000000      0.77000000      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     12.01100000      1.00000000
         0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      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
        30.49411765
         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  
  
 
 
        34 
         4 
  
   ion
   element
   atomtype
   
    Si   1
    O    2
    O    2
    O    2
    O    2
    C    3
    C    3
    C    3
    C    3
    C    3
    C    3
    C    3
    C    3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       4O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       8C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      21H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          12.00000000       0.00000000       0.00000000 
           0.00000000      12.00000000       0.00000000 
           0.00000000       0.00000000      12.00000000 
   
      1728.00000000 
   
           0.08333333       0.00000000       0.00000000 
           0.00000000       0.08333333       0.00000000 
           0.00000000       0.00000000       0.08333333 
   
  
  
          0.59624296       0.52061730       0.47742361 
          0.66743401       0.64592682       0.40719896 
          0.63381351       0.51474404       0.62788366 
          0.64593240       0.39195746       0.41017007 
          0.44204084       0.51771320       0.46438199 
          0.58951337       0.74113323       0.37236555 
          0.64479123       0.81256090       0.28022470 
          0.65925334       0.62922985       0.67355276 
          0.58816322       0.65031622       0.77933477 
          0.76733809       0.39940054       0.38523933 
          0.82383042       0.47844669       0.46837697 
          0.39325022       0.61697059       0.51473473 
          0.40587317       0.71427250       0.43952046 
          0.51100914       0.70736864       0.34077051 
          0.57479294       0.79605854       0.44434187 
          0.58768895       0.87915504       0.25488143 
          0.66401429       0.76054476       0.20866125 
          0.72145628       0.84911173       0.31238849 
          0.74742292       0.63408283       0.69533407 
          0.64004050       0.69208037       0.61108836 
          0.60728099       0.73260691       0.81302147 
          0.60720079       0.58700450       0.84181363 
          0.49999247       0.64596844       0.75806974 
          0.80430292       0.31680498       0.39207626 
          0.77888817       0.43080447       0.30081929 
          0.91275661       0.48239072       0.45055621 
          0.81118610       0.44745504       0.55279089 
          0.78751128       0.56129421       0.46094248 
          0.31614336       0.57092058       0.50142370 
          0.35361000       0.63657035       0.59392897 
          0.34992925       0.78008657       0.46367189 
          0.38887841       0.68842964       0.35376750 
          0.48734109       0.74170915       0.44597185 
          0.46428344       0.60508104       0.57000732 
  
 
 
  
       1.80    1.83
       1.96    2.00
   
         14.83617357 
       3995.28318419 
      -6444.10707262 
        257.26196321 
       2387.31265437 
      -2381.65573515 
         -0.00616624 
       -535.09677268 
       3271.18760731 
        565.01583597 
        565.02200221 
        565.01789138 
   
  
  
       2.01    2.03
       2.01    2.03
   
        -22.18095428 
        -22.17148231 
        -22.17779696 
   
  
  
       1.79    1.80
       1.79    1.80
   
       -185.64905545 
       -185.61386122 
       -185.63732404 
   
  
  
       1.58    1.58
       1.58    1.58
   
       -194.49063422 
       -194.43423897 
       -194.47183580 
   
  
  
       1.92    1.93
       1.95    1.96
   
       -194.74211290 
       -194.68569429 
       -194.72330670 
   
  
  
       1.60    1.60
       1.79    1.80
   
       -178.48671192 
       -178.43029561 
       -178.46790649 
   
  
  
       1.79    1.79
       1.99    1.99
   
       -175.87751480 
       -175.82109842 
       -175.85870934 
   
  
  
       1.86    1.88
       2.06    2.07
   
       -175.26135162 
       -175.20493659 
       -175.24254661