vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 18 
  15:29:57 
 
 
  No title
       0
  Normal
  Damped
   F  
       1
       2
       1
      95
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        0.75000000      0.32000000      0.77000000      1.11000000      0.73000000
  Auto
        0.40000000
       1
        0.20000000
       1
   T  
   F  
        0.20000000
   T  
       1
       1
       1
       1
       4
  Normal
 
 
  
   
    
           20.00000000       0.00000000       0.00000000 
            0.00000000      15.00000000       0.00000000 
            0.00000000       0.00000000      15.00000000 
    
       4500.00000000 
    
            0.05000000       0.00000000       0.00000000 
            0.00000000       0.06666667       0.00000000 
            0.00000000       0.00000000       0.06666667 
    
   
   
           0.74752291       0.42652387       0.59268188 
           0.76576493       0.44319474       0.65163513 
           0.78586770       0.43030971       0.54788689 
           0.14752995       0.51840202       0.36551162 
           0.20182331       0.61300882       0.36989106 
           0.21800592       0.52513712       0.29314777 
           0.10644829       0.55206329       0.65719021 
           0.14712592       0.64055114       0.59885498 
           0.10268001       0.55624423       0.53834091 
           0.41650760       0.43366421       0.29419048 
           0.41497278       0.34319213       0.37188311 
           0.34227976       0.41218344       0.35759916 
           0.52234662       0.27040734       0.57288237 
           0.52886182       0.35117427       0.48089093 
           0.56924890       0.40467847       0.59368738 
           0.24381310       0.69235463       0.50478417 
           0.30058412       0.66848751       0.59223871 
           0.32641056       0.65757709       0.47919547 
           0.43757157       0.61911573       0.55855583 
           0.44647586       0.55679984       0.65891871 
           0.50964263       0.55172770       0.57556149 
           0.32057314       0.44797943       0.64126602 
           0.30521200       0.37969984       0.54785079 
           0.32205311       0.44692887       0.56770762 
           0.19995572       0.54022283       0.36060375 
           0.13492851       0.56880798       0.59672135 
           0.39740086       0.41180754       0.35934460 
           0.51114283       0.33679658       0.54831295 
           0.28439438       0.64727665       0.52539392 
           0.45530012       0.55563632       0.58651241 
           0.41158944       0.45926766       0.53404142 
           0.25816657       0.52716950       0.52642079 
           0.24056629       0.49389272       0.42321403 
           0.19327441       0.51477065       0.59466871 
           0.42191214       0.47240243       0.42519528 
           0.44630224       0.36287059       0.56712775 
   
  
  
           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 
          36 
  
 
 
  
          1        1        1 
         0.00000000       0.00000000       0.00000000 
         1.00000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       53
       10
       62
       -1
       -1
        87.00000000
        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  
   
   
        95
        -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
   
  
  
       98
       80
       80
      196
      160
      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
  
  
        3
         0.00001000
  
  
        0
         0.75000000      0.32000000      0.77000000      1.11000000      0.73000000
      301
        10.00000000
       -10.00000000
         0.00000000
  
  
        1
    T  
    F  
    F  
    F  
    F  
    F  
    F  
    F  
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
        2
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        14.00100000      1.00000000     12.01100000     28.08500000     16.00000000
         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
    T  
   normal
    F  
    F  
    F  
    F  
    F  
        -1.00000000
        0
        0
         0.25000000
        -1.00000000
         0.00000000
         0.75000000
         0.75000000
         1.00000000
         1.00000000
        1
        1
        1
    F  
    F  
    F  
        4
        1
    F  
         0.20000000
         0.20000000
        1
  
  
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
        75.00000000
         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
       95
        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
   
    N    1
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    C    3
    C    3
    C    3
    C    3
    C    3
    C    3
    C    3
    Si   4
    Si   4
    O    5
    O    5
    O    5
    O    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
      22H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       7C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       2Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       4O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
   
  
 
 
  
   
          20.00000000       0.00000000       0.00000000 
           0.00000000      15.00000000       0.00000000 
           0.00000000       0.00000000      15.00000000 
   
      4500.00000000 
   
           0.05000000       0.00000000       0.00000000 
           0.00000000       0.06666667       0.00000000 
           0.00000000       0.00000000       0.06666667 
   
  
  
          0.74752291       0.42652387       0.59268188 
          0.76576493       0.44319474       0.65163513 
          0.78586770       0.43030971       0.54788689 
          0.14752995       0.51840202       0.36551162 
          0.20182331       0.61300882       0.36989106 
          0.21800592       0.52513712       0.29314777 
          0.10644829       0.55206329       0.65719021 
          0.14712592       0.64055114       0.59885498 
          0.10268001       0.55624423       0.53834091 
          0.41650760       0.43366421       0.29419048 
          0.41497278       0.34319213       0.37188311 
          0.34227976       0.41218344       0.35759916 
          0.52234662       0.27040734       0.57288237 
          0.52886182       0.35117427       0.48089093 
          0.56924890       0.40467847       0.59368738 
          0.24381310       0.69235463       0.50478417 
          0.30058412       0.66848751       0.59223871 
          0.32641056       0.65757709       0.47919547 
          0.43757157       0.61911573       0.55855583 
          0.44647586       0.55679984       0.65891871 
          0.50964263       0.55172770       0.57556149 
          0.32057314       0.44797943       0.64126602 
          0.30521200       0.37969984       0.54785079 
          0.32205311       0.44692887       0.56770762 
          0.19995572       0.54022283       0.36060375 
          0.13492851       0.56880798       0.59672135 
          0.39740086       0.41180754       0.35934460 
          0.51114283       0.33679658       0.54831295 
          0.28439438       0.64727665       0.52539392 
          0.45530012       0.55563632       0.58651241 
          0.41158944       0.45926766       0.53404142 
          0.25816657       0.52716950       0.52642079 
          0.24056629       0.49389272       0.42321403 
          0.19327441       0.51477065       0.59466871 
          0.42191214       0.47240243       0.42519528 
          0.44630224       0.36287059       0.56712775 
  
 
 
  
       4.34    4.44
   
          6.34847707 
       5603.41404703 
      -8170.87175834 
        254.00034819 
       2573.98116666 
      -3109.12938481 
          0.01485037 
        104.46403887 
       3464.40647177 
        726.62825681 
        726.61340644 
        726.62330669 
   
  
  
       2.64    2.64
   
        -15.17976918 
        -15.18904270 
        -15.18286035 
   
  
  
       2.62    2.62
   
       -563.78532818 
       -563.73802105 
       -563.76955914 
   
  
  
       2.43    2.43
   
       -776.99842533 
       -776.94200637 
       -776.97961901