vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 10 19 
  12:53:11 
 
 
  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      0.73000000      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 
    
   
   
           0.62812855       0.58943438       0.48906814 
           0.68722874       0.73445847       0.44018342 
           0.67850176       0.56953220       0.64278883 
           0.69183994       0.46659464       0.40076833 
           0.46415338       0.58329743       0.47988189 
           0.65894299       0.80295061       0.31879608 
           0.70068833       0.67212281       0.73823571 
           0.83250956       0.43308988       0.40097989 
           0.35948495       0.65613000       0.55677675 
           0.67892316       0.91039674       0.33282006 
           0.55330170       0.79011073       0.29077467 
           0.72221209       0.76621772       0.23607687 
           0.61031103       0.68750815       0.79988256 
           0.72800460       0.76744423       0.68992812 
           0.78308059       0.64023317       0.80383889 
           0.89634495       0.51551659       0.36373685 
           0.84962193       0.34631359       0.33478680 
           0.86913783       0.40570378       0.50160322 
           0.35723031       0.62520220       0.66161483 
           0.26061043       0.63023222       0.51501490 
           0.37852997       0.76339800       0.54796779 
           0.32013659       0.31050053       0.60414375 
           0.37824303       0.43256174       0.50391273 
           0.29367547       0.37625427       0.53238290 
   
  
  
           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 
   
  
  
          0.62812855       0.58943438       0.48906814 
          0.68722874       0.73445847       0.44018342 
          0.67850176       0.56953220       0.64278883 
          0.69183994       0.46659464       0.40076833 
          0.46415338       0.58329743       0.47988189 
          0.65894299       0.80295061       0.31879608 
          0.70068833       0.67212281       0.73823571 
          0.83250956       0.43308988       0.40097989 
          0.35948495       0.65613000       0.55677675 
          0.67892316       0.91039674       0.33282006 
          0.55330170       0.79011073       0.29077467 
          0.72221209       0.76621772       0.23607687 
          0.61031103       0.68750815       0.79988256 
          0.72800460       0.76744423       0.68992812 
          0.78308059       0.64023317       0.80383889 
          0.89634495       0.51551659       0.36373685 
          0.84962193       0.34631359       0.33478680 
          0.86913783       0.40570378       0.50160322 
          0.35723031       0.62520220       0.66161483 
          0.26061043       0.63023222       0.51501490 
          0.37852997       0.76339800       0.54796779 
          0.32013659       0.31050053       0.60414375 
          0.37824303       0.43256174       0.50391273 
          0.29367547       0.37625427       0.53238290 
  
 
 
  
       1.20    1.35
       1.46    1.61
   
         15.04782365 
       1787.83818582 
      -4017.04068805 
        206.05192729 
       2143.21900841 
      -2136.41330556 
         -0.00926318 
       -374.59519117 
       2859.80328558 
        483.90178281 
        483.91104599 
        483.90487054 
   
  
  
       1.74    1.89
       1.74    1.89
   
        -17.26629818 
        -17.25034795 
        -17.26098144 
   
  
  
       2.40    2.49
       2.40    2.49
   
       -136.52569848 
       -136.47060261 
       -136.50733319 
   
  
  
       4.04    4.12
       4.04    4.12
   
       -141.30483715 
       -141.24841887 
       -141.28603106 
   
  
  
       6.36    6.39
       6.42    6.45
   
       -141.40248964 
       -141.34607201 
       -141.38368376 
   
  
  
       6.52    6.56
       6.76    6.80
   
       -130.63329002 
       -130.57687274 
       -130.61448426 
   
  
  
       6.95    6.98
       7.18    7.21
   
       -128.90216569 
       -128.84574906 
       -128.88336015 
   
  
  
       6.56    6.59
       6.78    6.81
   
       -128.46206784 
       -128.40565173 
       -128.44326247 
   
  
  
       6.58    6.61
       6.83    6.86
   
       -128.39976365 
       -128.34334829 
       -128.38095853 
   
  
  
       6.37    6.41
       6.62    6.65
   
       -128.38995699 
       -128.33354210 
       -128.37115203 
   
  
  
       5.98    6.01
       6.20    6.23
   
       -128.39306633 
       -128.33665116 
       -128.37426127 
   
  
  
       5.48    5.51
       5.70    5.73
   
       -128.39223640 
       -128.33582155 
       -128.37343145 
   
  
  
       5.98    6.02
       6.21    6.26
   
       -128.39716434 
       -128.34075004 
       -128.37835957 
   
  
  
       5.75    5.77
       5.97    5.99
   
       -128.40344506 
       -128.34703052 
       -128.38464021