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 
    
   
   
           0.76932614       0.41473048       0.59183941 
           0.78680484       0.43570212       0.65029731 
           0.80783665       0.42079666       0.54725393 
           0.14587950       0.51896548       0.36486502 
           0.19938682       0.61432555       0.37077119 
           0.21666213       0.52754131       0.29317375 
           0.10463196       0.55355644       0.65708570 
           0.14574064       0.64197943       0.59917980 
           0.10092446       0.55831497       0.53825552 
           0.41501782       0.43526623       0.29406079 
           0.41309764       0.34460835       0.37155177 
           0.34053561       0.41372033       0.35693511 
           0.52001929       0.27086641       0.57280956 
           0.52727766       0.35105660       0.48158736 
           0.56154097       0.39949779       0.59436902 
           0.24221159       0.69347773       0.50489088 
           0.29863618       0.66939243       0.59268118 
           0.32485841       0.65855883       0.47979066 
           0.43601669       0.61955190       0.55858065 
           0.44467010       0.55729221       0.65903106 
           0.50788502       0.55197718       0.57573521 
           0.31871750       0.44908754       0.64129087 
           0.30319340       0.38063009       0.54805680 
           0.32011427       0.44787755       0.56772831 
           0.19815743       0.54160402       0.36065598 
           0.13321530       0.57034327       0.59671429 
           0.39565874       0.41329135       0.35904621 
           0.50990912       0.33819902       0.54960167 
           0.28266344       0.64828826       0.52570574 
           0.45355123       0.55602566       0.58664386 
           0.40971407       0.45971770       0.53403434 
           0.25634505       0.52821675       0.52641334 
           0.23880307       0.49513154       0.42311979 
           0.19130034       0.51582116       0.59443275 
           0.41991493       0.47370639       0.42519637 
           0.44403802       0.36320821       0.56652442 
   
  
  
           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 
   
  
  
          0.76932614       0.41473048       0.59183941 
          0.78680484       0.43570212       0.65029731 
          0.80783665       0.42079666       0.54725393 
          0.14587950       0.51896548       0.36486502 
          0.19938682       0.61432555       0.37077119 
          0.21666213       0.52754131       0.29317375 
          0.10463196       0.55355644       0.65708570 
          0.14574064       0.64197943       0.59917980 
          0.10092446       0.55831497       0.53825552 
          0.41501782       0.43526623       0.29406079 
          0.41309764       0.34460835       0.37155177 
          0.34053561       0.41372033       0.35693511 
          0.52001929       0.27086641       0.57280956 
          0.52727766       0.35105660       0.48158736 
          0.56154097       0.39949779       0.59436902 
          0.24221159       0.69347773       0.50489088 
          0.29863618       0.66939243       0.59268118 
          0.32485841       0.65855883       0.47979066 
          0.43601669       0.61955190       0.55858065 
          0.44467010       0.55729221       0.65903106 
          0.50788502       0.55197718       0.57573521 
          0.31871750       0.44908754       0.64129087 
          0.30319340       0.38063009       0.54805680 
          0.32011427       0.44787755       0.56772831 
          0.19815743       0.54160402       0.36065598 
          0.13321530       0.57034327       0.59671429 
          0.39565874       0.41329135       0.35904621 
          0.50990912       0.33819902       0.54960167 
          0.28266344       0.64828826       0.52570574 
          0.45355123       0.55602566       0.58664386 
          0.40971407       0.45971770       0.53403434 
          0.25634505       0.52821675       0.52641334 
          0.23880307       0.49513154       0.42311979 
          0.19130034       0.51582116       0.59443275 
          0.41991493       0.47370639       0.42519637 
          0.44403802       0.36320821       0.56652442 
  
 
 
  
       4.29    4.34
   
          6.34847707 
       5579.12706546 
      -8146.45163492 
        254.06765253 
       2573.98116666 
      -3109.12938481 
         -0.04086864 
        125.77569445 
       3464.40647177 
        748.08463956 
        748.12550820 
        748.09826244 
   
  
  
       2.60    2.60
   
         11.46688557 
         11.45136906 
         11.46171340 
   
  
  
       2.68    2.68
   
       -541.34190811 
       -541.29784679 
       -541.32722101 
   
  
  
       2.44    2.44
   
       -769.81364593 
       -769.75722697 
       -769.79483961