vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 10 19 
  20:28:22 
 
 
  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 
    
   
   
           0.58589500       0.59314461       0.46606955 
           0.62260174       0.62271188       0.30627209 
           0.68530576       0.71789565       0.52951669 
           0.43687032       0.63990073       0.52183233 
           0.65518569       0.49841459       0.57851390 
           0.56385928       0.62821006       0.10924977 
           0.43671269       0.57300736       0.22210424 
           0.57085706       0.46442872       0.17896898 
           0.80870598       0.88066296       0.51040220 
           0.80299097       0.77516632       0.36578210 
           0.89320654       0.72421805       0.51203328 
           0.43961104       0.82426954       0.62122490 
           0.28213413       0.76531724       0.56131572 
           0.40164111       0.83244333       0.44754323 
           0.45878690       0.38588720       0.51266151 
           0.59434339       0.34087155       0.42822736 
           0.54433641       0.56908298       0.19958623 
           0.80302892       0.77607813       0.47577480 
           0.38906352       0.77250596       0.53874166 
           0.52716267       0.41643219       0.44227805 
   
  
  
           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 
   
  
  
          0.58589500       0.59314461       0.46606955 
          0.62260174       0.62271188       0.30627209 
          0.68530576       0.71789565       0.52951669 
          0.43687032       0.63990073       0.52183233 
          0.65518569       0.49841459       0.57851390 
          0.56385928       0.62821006       0.10924977 
          0.43671269       0.57300736       0.22210424 
          0.57085706       0.46442872       0.17896898 
          0.80870598       0.88066296       0.51040220 
          0.80299097       0.77516632       0.36578210 
          0.89320654       0.72421805       0.51203328 
          0.43961104       0.82426954       0.62122490 
          0.28213413       0.76531724       0.56131572 
          0.40164111       0.83244333       0.44754323 
          0.45878690       0.38588720       0.51266151 
          0.59434339       0.34087155       0.42822736 
          0.54433641       0.56908298       0.19958623 
          0.80302892       0.77607813       0.47577480 
          0.38906352       0.77250596       0.53874166 
          0.52716267       0.41643219       0.44227805 
  
 
 
  
       3.67    3.69
       3.87    3.90
   
          9.70459894 
       1594.65213270 
      -3328.45896877 
        161.15412751 
       1683.87943027 
      -1674.68789537 
         -0.00974589 
       -320.10174622 
       2255.45560034 
        381.58753351 
        381.59727940 
        381.59078214 
   
  
  
       4.91    4.95
       4.91    4.95
   
        -14.59886594 
        -14.59097266 
        -14.59623484 
   
  
  
       4.02    4.05
       4.02    4.05
   
       -111.90462853 
       -111.85249782 
       -111.88725163 
   
  
  
       4.26    4.28
       4.26    4.28
   
       -116.13606551 
       -116.07964786 
       -116.11725963 
   
  
  
       4.20    4.23
       4.24    4.27
   
       -116.18702816 
       -116.13061010 
       -116.16822214 
   
  
  
       4.01    4.03
       4.27    4.30
   
       -107.14034291 
       -107.08392508 
       -107.12153697 
   
  
  
       4.05    4.08
       4.29    4.32
   
       -105.71676247 
       -105.66034511 
       -105.69795668 
   
  
  
       3.82    3.85
       4.04    4.08
   
       -105.25299488 
       -105.19657798 
       -105.23418924 
   
  
  
       4.11    4.16
       4.36    4.41
   
       -105.14358127 
       -105.08716524 
       -105.12477593 
   
  
  
       3.84    3.89
       4.07    4.12
   
       -105.11435922 
       -105.05794349 
       -105.09555398 
   
  
  
       3.68    3.71
       3.93    3.96
   
       -105.11181127 
       -105.05539548 
       -105.09300601 
   
  
  
       3.38    3.43
       3.67    3.72
   
       -105.11057514 
       -105.05415933 
       -105.09176987 
   
  
  
       3.54    3.57
       3.77    3.80
   
       -105.11227563 
       -105.05585954 
       -105.09347026 
   
  
  
       3.32    3.37
       3.55    3.60
   
       -105.12178602 
       -105.06536990 
       -105.10298064 
   
  
  
       3.85    3.88
       4.07    4.11
   
       -105.12435744 
       -105.06794131 
       -105.10555206 
   
  
  
       3.57    3.62
       3.81    3.86
   
       -105.12733747 
       -105.07092137 
       -105.10853210 
   
  
  
       3.56    3.58
       3.78    3.81
   
       -105.13073225 
       -105.07431623 
       -105.11192691 
   
  
  
       2.76    2.97
       2.98    3.19
   
       -105.13147627 
       -105.07506030 
       -105.11267095