vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 13 
  18:17:08 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        0.75000000      0.32000000      0.77000000      1.11000000      0.73000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           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 
    
   
   
           0.40299397       0.38562952       0.49122320 
           0.43381485       0.40177083       0.54585081 
           0.40880190       0.31467501       0.48636883 
           0.30804678       0.75298207       0.68676603 
           0.22353072       0.71267718       0.68697529 
           0.28570738       0.65817368       0.75306640 
           0.35629078       0.77900993       0.36798658 
           0.27869884       0.82689312       0.40443560 
           0.35638932       0.87079423       0.44395383 
           0.17483374       0.41473693       0.64387244 
           0.25665882       0.36617141       0.63766270 
           0.24764803       0.48382774       0.65840725 
           0.34791488       0.08798377       0.48119802 
           0.27631716       0.14895327       0.51580040 
           0.30608442       0.15786407       0.40062442 
           0.17516636       0.73357265       0.51629067 
           0.19313019       0.69479795       0.40706433 
           0.16725625       0.61795072       0.49049048 
           0.21312089       0.44632745       0.33342562 
           0.29459509       0.41337298       0.29729364 
           0.24173584       0.33646757       0.35620831 
           0.32599829       0.58041758       0.37891096 
           0.37895634       0.56191787       0.47090642 
           0.32614880       0.56405704       0.45087167 
           0.27665400       0.69261709       0.68952357 
           0.32999857       0.80912185       0.42535577 
           0.22702991       0.42585261       0.62274856 
           0.32162589       0.15415198       0.47260943 
           0.19736170       0.67816802       0.47836280 
           0.25801619       0.40657783       0.35176365 
           0.29591726       0.44753143       0.46101810 
           0.28601270       0.65835379       0.51245082 
           0.29303184       0.63239576       0.61916156 
           0.33020185       0.75122998       0.50023532 
           0.22881435       0.44000210       0.52796146 
           0.36606549       0.21816753       0.49939480 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
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          17 
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          20 
          21 
          22 
          23 
          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
          36 
  
 
 
  
          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 
          0.50000000       0.00000000       0.50000000 
          0.00000000       0.50000000       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
       80
       -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
   
   
         2
     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  
   
   
       200
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000003
           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
  
  
        2
         0.00001000
  
  
        0
         0.75000000      0.32000000      0.77000000      1.11000000      0.73000000
      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
  
  
        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
    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
        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
      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  
  
 
 
        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 
   
  
  
          0.40299397       0.38562952       0.49122320 
          0.43381485       0.40177083       0.54585081 
          0.40880190       0.31467501       0.48636883 
          0.30804678       0.75298207       0.68676603 
          0.22353072       0.71267718       0.68697529 
          0.28570738       0.65817368       0.75306640 
          0.35629078       0.77900993       0.36798658 
          0.27869884       0.82689312       0.40443560 
          0.35638932       0.87079423       0.44395383 
          0.17483374       0.41473693       0.64387244 
          0.25665882       0.36617141       0.63766270 
          0.24764803       0.48382774       0.65840725 
          0.34791488       0.08798377       0.48119802 
          0.27631716       0.14895327       0.51580040 
          0.30608442       0.15786407       0.40062442 
          0.17516636       0.73357265       0.51629067 
          0.19313019       0.69479795       0.40706433 
          0.16725625       0.61795072       0.49049048 
          0.21312089       0.44632745       0.33342562 
          0.29459509       0.41337298       0.29729364 
          0.24173584       0.33646757       0.35620831 
          0.32599829       0.58041758       0.37891096 
          0.37895634       0.56191787       0.47090642 
          0.32614880       0.56405704       0.45087167 
          0.27665400       0.69261709       0.68952357 
          0.32999857       0.80912185       0.42535577 
          0.22702991       0.42585261       0.62274856 
          0.32162589       0.15415198       0.47260943 
          0.19736170       0.67816802       0.47836280 
          0.25801619       0.40657783       0.35176365 
          0.29591726       0.44753143       0.46101810 
          0.28601270       0.65835379       0.51245082 
          0.29303184       0.63239576       0.61916156 
          0.33020185       0.75122998       0.50023532 
          0.22881435       0.44000210       0.52796146 
          0.36606549       0.21816753       0.49939480 
  
 
 
  
      42.05   42.23
      44.56   44.74
   
          6.34847707 
       6137.86734864 
      -8717.58268261 
        263.16781653 
       2564.72054280 
      -2541.99018201 
          0.00480144 
       -538.41244323 
       3504.07976474 
        678.20344337 
        678.19864193 
        678.20184289 
   
  
  
      54.56   54.62
      54.57   54.63
   
        102.99749237 
        103.01979339 
        103.00492604 
   
  
  
      47.88   47.94
      47.88   47.94
   
       -145.45859900 
       -145.47201339 
       -145.46307047 
   
  
  
      46.18   46.24
      46.18   46.24
   
       -167.96787918 
       -167.96157480 
       -167.96577772 
   
  
  
      49.06   49.11
      49.58   49.63
   
       -168.44617025 
       -168.43870530 
       -168.44368193 
   
  
  
      39.37   39.46
      42.25   42.34
   
        -68.34957596 
        -68.35537446 
        -68.35150880 
   
  
  
      44.00   44.08
      46.50   46.58
   
       -107.30626705 
       -107.24678086 
       -107.28643832 
   
  
  
      43.90   43.97
      46.28   46.35
   
       -122.68365114 
       -122.68449065 
       -122.68393098 
   
  
  
      44.28   44.50
      47.07   47.31
   
       -143.68479714 
       -143.69875962 
       -143.68945130 
   
  
  
      84.16   84.30
      87.46   87.60
   
       -162.28522250 
       -162.29298968 
       -162.28781156 
   
  
  
     176.84  176.90
     189.18  189.24
   
       -170.40052527 
       -170.41789216 
       -170.40631423