vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 10 19 
  20:28:20 
 
 
  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      0.32000000      0.77000000      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 
    
   
   
           0.61981505       0.64182807       0.45918668 
           0.63596177       0.66037604       0.29393935 
           0.70667473       0.76684650       0.52240465 
           0.46283997       0.65233484       0.51125988 
           0.56514991       0.27090293       0.44788776 
           0.57818335       0.62887168       0.09975395 
           0.44794939       0.60054154       0.22078636 
           0.58098234       0.48097118       0.20060056 
           0.80337116       0.94376513       0.48804346 
           0.82192483       0.82510865       0.35666066 
           0.91095191       0.80166623       0.51020923 
           0.43147274       0.83505257       0.61260617 
           0.28677700       0.75757992       0.53828450 
           0.40722776       0.84244801       0.43402296 
           0.44355245       0.35871924       0.51954562 
           0.54254307       0.26299279       0.60603044 
           0.55582928       0.58851882       0.19972676 
           0.81696128       0.83696191       0.46559519 
           0.39420400       0.77925727       0.52453628 
           0.48992729       0.26590569       0.51701822 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
  
 
 
  
          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
       36
       -1
       -1
        51.00000000
        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
     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
           0.00000007
           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      0.32000000      0.77000000      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      1.00000000     12.01100000     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
        30.00000000
         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  
  
 
 
        20 
         5 
  
   ion
   element
   atomtype
   
    Si   1
    O    2
    O    2
    O    2
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    C    4
    C    4
    C    4
    N    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       3O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      12H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       3C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       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 
   
  
  
          0.61981505       0.64182807       0.45918668 
          0.63596177       0.66037604       0.29393935 
          0.70667473       0.76684650       0.52240465 
          0.46283997       0.65233484       0.51125988 
          0.56514991       0.27090293       0.44788776 
          0.57818335       0.62887168       0.09975395 
          0.44794939       0.60054154       0.22078636 
          0.58098234       0.48097118       0.20060056 
          0.80337116       0.94376513       0.48804346 
          0.82192483       0.82510865       0.35666066 
          0.91095191       0.80166623       0.51020923 
          0.43147274       0.83505257       0.61260617 
          0.28677700       0.75757992       0.53828450 
          0.40722776       0.84244801       0.43402296 
          0.44355245       0.35871924       0.51954562 
          0.54254307       0.26299279       0.60603044 
          0.55582928       0.58851882       0.19972676 
          0.81696128       0.83696191       0.46559519 
          0.39420400       0.77925727       0.52453628 
          0.48992729       0.26590569       0.51701822 
  
 
 
  
       3.63    3.66
       3.90    3.94
   
          9.70459894 
       1237.68806208 
      -2974.12147971 
        160.27586799 
       1683.87943027 
      -1674.68789537 
          0.00494102 
       -322.20766461 
       2255.45560034 
        375.99146096 
        375.98651993 
        375.98981395 
   
  
  
       4.84    4.86
       4.84    4.86
   
        -16.48680347 
        -16.47842697 
        -16.48401130 
   
  
  
       4.02    4.05
       4.02    4.05
   
       -112.93161607 
       -112.87639461 
       -112.91320892 
   
  
  
       4.03    4.07
       4.03    4.07
   
       -117.24309892 
       -117.18671127 
       -117.22430304 
   
  
  
       4.34    4.37
       4.39    4.42
   
       -117.36076992 
       -117.30435345 
       -117.34196443 
   
  
  
       3.72    3.76
       3.96    4.01
   
       -107.26361581 
       -107.20721227 
       -107.24481463 
   
  
  
       4.10    4.16
       4.33    4.39
   
       -106.04383004 
       -105.98743221 
       -106.02503076 
   
  
  
       3.81    3.85
       4.05    4.08
   
       -105.60515230 
       -105.54876135 
       -105.58635532 
   
  
  
       4.08    4.13
       4.30    4.35
   
       -105.55581007 
       -105.49942068 
       -105.53701361 
   
  
  
       3.80    3.85
       4.03    4.08
   
       -105.54899176 
       -105.49260330 
       -105.53019561 
   
  
  
       3.80    3.84
       4.04    4.08
   
       -105.54922763 
       -105.49283982 
       -105.53043170 
   
  
  
       3.34    3.39
       3.57    3.63
   
       -105.55147859 
       -105.49509188 
       -105.53268302 
   
  
  
       3.56    3.61
       3.81    3.85
   
       -105.55453692 
       -105.49815009 
       -105.53574131 
   
  
  
       3.58    3.63
       3.81    3.86
   
       -105.55949797 
       -105.50311084 
       -105.54070226 
   
  
  
       3.57    3.61
       3.80    3.84
   
       -105.56339499 
       -105.50700789 
       -105.54459929 
   
  
  
       3.63    3.69
       3.86    3.93
   
       -105.56621291 
       -105.50982646 
       -105.54741743 
   
  
  
       3.68    3.72
       3.91    3.94
   
       -105.56731684 
       -105.51093086 
       -105.54852151