vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 09 01 
  23:35:13 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.77000000      0.32000000      0.75000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           12.00000000       0.00000000       0.00000000 
            0.00000000      12.00000000       0.00000000 
            0.00000000       0.00000000      15.00000000 
    
       2160.00000000 
    
            0.08333333       0.00000000       0.00000000 
            0.00000000       0.08333333       0.00000000 
            0.00000000       0.00000000       0.06666667 
    
   
   
           0.37606694       0.36747018       0.32328609 
           0.45436749       0.51317618       0.48666979 
           0.41050084       0.41417692       0.42194059 
           0.36713080       0.61912168       0.46518404 
           0.45025593       0.47585623       0.59042487 
           0.58375627       0.54874906       0.47068232 
           0.42503432       0.46427796       0.25477473 
           0.43098174       0.24578027       0.30150966 
           0.24261005       0.35130511       0.30969962 
           0.37813656       0.72440738       0.49809519 
           0.35455808       0.43206381       0.63544329 
           0.62995467       0.59251616       0.39016650 
           0.41033297       0.46066268       0.16026102 
           0.54608715       0.22338232       0.30298090 
           0.16318497       0.43761875       0.32251102 
           0.28911653       0.72196560       0.62132194 
           0.45231490       0.74646484       0.53310080 
           0.33179695       0.78461982       0.46961399 
           0.37788998       0.37389865       0.68073405 
           0.31476177       0.49289677       0.66812220 
           0.29932733       0.39358599       0.59483929 
           0.71102679       0.55234176       0.37896207 
           0.57613165       0.57692945       0.33202217 
           0.64318998       0.68280129       0.39739917 
           0.49237813       0.46315552       0.12769731 
           0.36628618       0.38504151       0.13834897 
           0.36220843       0.53399067       0.13867246 
           0.55508400       0.14527361       0.27900818 
           0.59577547       0.27687974       0.26436281 
           0.57871024       0.22631863       0.36590028 
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           0.17323443       0.50417846       0.27363036 
           0.08030949       0.40213149       0.31396381 
           0.18459014       0.78568339       0.65891811 
           0.29061116       0.80050057       0.71409360 
           0.25601017       0.64920117       0.66550901 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
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          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
          36 
  
 
 
  
          2        2        1 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.50000000       0.50000000       0.00000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       68
       -1
       -1
        99.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -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      1.00000000
         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
        60
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           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
       80
      120
      120
      160
    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      0.77000000      0.32000000      0.75000000
      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     14.00100000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      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
        36.00000000
         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
       60
        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  
  
 
 
        36 
         5 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    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
    N    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       2Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       7O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       6C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      20H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
   
  
 
 
  
   
          12.00000000       0.00000000       0.00000000 
           0.00000000      12.00000000       0.00000000 
           0.00000000       0.00000000      15.00000000 
   
      2160.00000000 
   
           0.08333333       0.00000000       0.00000000 
           0.00000000       0.08333333       0.00000000 
           0.00000000       0.00000000       0.06666667 
   
  
  
          0.37606694       0.36747018       0.32328609 
          0.45436749       0.51317618       0.48666979 
          0.41050084       0.41417692       0.42194059 
          0.36713080       0.61912168       0.46518404 
          0.45025593       0.47585623       0.59042487 
          0.58375627       0.54874906       0.47068232 
          0.42503432       0.46427796       0.25477473 
          0.43098174       0.24578027       0.30150966 
          0.24261005       0.35130511       0.30969962 
          0.37813656       0.72440738       0.49809519 
          0.35455808       0.43206381       0.63544329 
          0.62995467       0.59251616       0.39016650 
          0.41033297       0.46066268       0.16026102 
          0.54608715       0.22338232       0.30298090 
          0.16318497       0.43761875       0.32251102 
          0.28911653       0.72196560       0.62132194 
          0.45231490       0.74646484       0.53310080 
          0.33179695       0.78461982       0.46961399 
          0.37788998       0.37389865       0.68073405 
          0.31476177       0.49289677       0.66812220 
          0.29932733       0.39358599       0.59483929 
          0.71102679       0.55234176       0.37896207 
          0.57613165       0.57692945       0.33202217 
          0.64318998       0.68280129       0.39739917 
          0.49237813       0.46315552       0.12769731 
          0.36628618       0.38504151       0.13834897 
          0.36220843       0.53399067       0.13867246 
          0.55508400       0.14527361       0.27900818 
          0.59577547       0.27687974       0.26436281 
          0.57871024       0.22631863       0.36590028 
          0.17008121       0.47292148       0.38901715 
          0.17323443       0.50417846       0.27363036 
          0.08030949       0.40213149       0.31396381 
          0.18459014       0.78568339       0.65891811 
          0.29061116       0.80050057       0.71409360 
          0.25601017       0.64920117       0.66550901