vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 10 19 
  12:53:19 
 
 
  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      0.73000000      0.77000000      0.32000000      0.75000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           10.00000000       0.00000000       0.00000000 
            0.00000000      10.00000000       0.00000000 
            0.00000000       0.00000000      10.00000000 
    
       1000.00000000 
    
            0.10000000       0.00000000       0.00000000 
            0.00000000       0.10000000       0.00000000 
            0.00000000       0.00000000       0.10000000 
    
   
   
           0.63383902       0.57985169       0.47343133 
           0.69544693       0.72884975       0.43097182 
           0.67354124       0.56346243       0.63303213 
           0.70860538       0.45755795       0.39353069 
           0.47632968       0.57069216       0.43642051 
           0.66173634       0.80308709       0.31403245 
           0.69362753       0.66715359       0.72852257 
           0.84822900       0.43305185       0.39814965 
           0.30499998       0.62574991       0.58804494 
           0.68223185       0.90967668       0.33243161 
           0.55521094       0.79134041       0.28982310 
           0.72153624       0.77008449       0.22748791 
           0.60283376       0.68096953       0.78978465 
           0.71935307       0.76291617       0.68025354 
           0.77613649       0.63730303       0.79520343 
           0.90618784       0.52004241       0.36256970 
           0.87017318       0.34722313       0.33296913 
           0.88052455       0.40926368       0.50070418 
           0.31347449       0.61613592       0.69785135 
           0.20547997       0.62823926       0.54620359 
           0.36910774       0.71039968       0.55416870 
           0.34960044       0.37127566       0.48744169 
           0.40095610       0.44490263       0.63062059 
           0.33168013       0.44597494       0.56231474 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
          23 
          24 
  
 
 
  
          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 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       45
       -1
       -1
        63.00000000
        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
     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
           0.00000006
           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
   
  
  
       50
       50
       50
      100
      100
      100
    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
  
  
        3
        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
        25.00000000
         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
      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  
  
 
 
        24 
         5 
  
   ion
   element
   atomtype
   
    Si   1
    O    2
    O    2
    O    2
    O    2
    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
    N    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       4O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       4C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      14H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
   
  
 
 
  
   
          10.00000000       0.00000000       0.00000000 
           0.00000000      10.00000000       0.00000000 
           0.00000000       0.00000000      10.00000000 
   
      1000.00000000 
   
           0.10000000       0.00000000       0.00000000 
           0.00000000       0.10000000       0.00000000 
           0.00000000       0.00000000       0.10000000 
   
  
  
          0.63383902       0.57985169       0.47343133 
          0.69544693       0.72884975       0.43097182 
          0.67354124       0.56346243       0.63303213 
          0.70860538       0.45755795       0.39353069 
          0.47632968       0.57069216       0.43642051 
          0.66173634       0.80308709       0.31403245 
          0.69362753       0.66715359       0.72852257 
          0.84822900       0.43305185       0.39814965 
          0.30499998       0.62574991       0.58804494 
          0.68223185       0.90967668       0.33243161 
          0.55521094       0.79134041       0.28982310 
          0.72153624       0.77008449       0.22748791 
          0.60283376       0.68096953       0.78978465 
          0.71935307       0.76291617       0.68025354 
          0.77613649       0.63730303       0.79520343 
          0.90618784       0.52004241       0.36256970 
          0.87017318       0.34722313       0.33296913 
          0.88052455       0.40926368       0.50070418 
          0.31347449       0.61613592       0.69785135 
          0.20547997       0.62823926       0.54620359 
          0.36910774       0.71039968       0.55416870 
          0.34960044       0.37127566       0.48744169 
          0.40095610       0.44490263       0.63062059 
          0.33168013       0.44597494       0.56231474 
  
 
 
  
   
   
   
         15.04782365 
       1776.40341676 
      -4011.89477326 
        205.56836363 
       2143.21900841 
      -2136.41330556 
          0.00187035 
       -381.71391872 
       2859.80328558 
        470.02177083 
        470.01990049 
        470.02114738 
   
  
  
   
   
   
        -21.91133144 
        -21.90792052 
        -21.91019447 
   
  
  
   
   
   
       -135.85584531 
       -135.80825695 
       -135.83998252 
   
  
  
   
   
   
       -140.21908827 
       -140.16267364 
       -140.20028340 
   
  
  
   
   
   
       -140.30978416 
       -140.25336713 
       -140.29097848 
   
  
  
   
   
   
       -129.70181490 
       -129.64633250 
       -129.68332077 
   
  
  
   
   
   
       -128.15803589 
       -128.10162307 
       -128.13923162 
   
  
  
   
   
   
       -127.31619725 
       -127.26016073 
       -127.29751841 
   
  
  
   
   
   
       -127.08192694 
       -127.02591827 
       -127.06325738 
   
  
  
   
   
   
       -127.04322070 
       -126.98695416 
       -127.02446518 
   
  
  
   
   
   
       -127.03203413 
       -126.97600075 
       -127.01335633 
   
  
  
   
   
   
       -127.03367894 
       -126.97761248 
       -127.01499012