vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 10 19 
  20:28:17 
 
 
  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 
    
   
   
           0.58123237       0.58787745       0.45928104 
           0.61531585       0.61323416       0.29891392 
           0.66723395       0.71685223       0.53505564 
           0.42978060       0.64121289       0.50699208 
           0.71477409       0.51358131       0.51578931 
           0.55316864       0.62912613       0.10396980 
           0.42835199       0.56757259       0.21659226 
           0.56324545       0.46198683       0.16446394 
           0.79539662       0.87592323       0.52409629 
           0.79452494       0.77146526       0.37820806 
           0.87635375       0.71747425       0.52871625 
           0.45770036       0.82069564       0.61244712 
           0.29067041       0.78297464       0.55694317 
           0.41469355       0.84090776       0.44063146 
           0.47119256       0.38730947       0.55193769 
           0.59663758       0.34191156       0.45103396 
           0.53543279       0.56500230       0.19137330 
           0.78993935       0.77219528       0.48817352 
           0.39746412       0.77790585       0.53018189 
           0.52919010       0.41543989       0.47329819 
   
  
  
           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 
   
  
  
          0.58123237       0.58787745       0.45928104 
          0.61531585       0.61323416       0.29891392 
          0.66723395       0.71685223       0.53505564 
          0.42978060       0.64121289       0.50699208 
          0.71477409       0.51358131       0.51578931 
          0.55316864       0.62912613       0.10396980 
          0.42835199       0.56757259       0.21659226 
          0.56324545       0.46198683       0.16446394 
          0.79539662       0.87592323       0.52409629 
          0.79452494       0.77146526       0.37820806 
          0.87635375       0.71747425       0.52871625 
          0.45770036       0.82069564       0.61244712 
          0.29067041       0.78297464       0.55694317 
          0.41469355       0.84090776       0.44063146 
          0.47119256       0.38730947       0.55193769 
          0.59663758       0.34191156       0.45103396 
          0.53543279       0.56500230       0.19137330 
          0.78993935       0.77219528       0.48817352 
          0.39746412       0.77790585       0.53018189 
          0.52919010       0.41543989       0.47329819 
  
 
 
  
       2.70    2.99
       3.02    3.32
   
          9.70459894 
       1609.36201723 
      -3342.58459938 
        161.22025809 
       1683.87943027 
      -1674.68789537 
          0.00238018 
       -323.81953302 
       2255.45560034 
        378.53225729 
        378.52987711 
        378.53146390 
   
  
  
       4.85    4.88
       4.85    4.88
   
        -14.56396532 
        -14.55163948 
        -14.55985671 
   
  
  
       3.96    3.98
       3.96    3.98
   
       -111.82657150 
       -111.77530498 
       -111.80948266 
   
  
  
       4.27    4.31
       4.27    4.31
   
       -116.16901930 
       -116.11260139 
       -116.15021333 
   
  
  
       4.29    4.32
       4.33    4.36
   
       -116.22048857 
       -116.16407048 
       -116.20168254 
   
  
  
       4.08    4.13
       4.36    4.41
   
       -107.20895106 
       -107.15253253 
       -107.19014488 
   
  
  
       3.97    4.00
       4.22    4.25
   
       -105.82922406 
       -105.77280942 
       -105.81041918 
   
  
  
       4.23    4.27
       4.49    4.52
   
       -105.36446966 
       -105.30805411 
       -105.34566448 
   
  
  
       3.98    4.01
       4.23    4.27
   
       -105.21597830 
       -105.15956557 
       -105.19717406 
   
  
  
       4.08    4.14
       4.35    4.41
   
       -105.18727668 
       -105.13086487 
       -105.16847274 
   
  
  
       3.80    3.84
       4.03    4.07
   
       -105.18295143 
       -105.12653883 
       -105.16414723 
   
  
  
       3.33    3.37
       3.57    3.61
   
       -105.18098677 
       -105.12457438 
       -105.16218264 
   
  
  
       3.53    3.57
       3.78    3.82
   
       -105.18201725 
       -105.12560438 
       -105.16321296 
   
  
  
       3.45    3.49
       3.72    3.78
   
       -105.19020804 
       -105.13379528 
       -105.17140378 
   
  
  
       3.67    3.70
       3.93    3.96
   
       -105.19453128 
       -105.13811859 
       -105.17572705 
   
  
  
       3.57    3.61
       3.83    3.87
   
       -105.19748382 
       -105.14107123 
       -105.17867963 
   
  
  
       3.61    3.65
       3.84    3.88
   
       -105.20067335 
       -105.14426091 
       -105.18186920 
   
  
  
       3.82    3.86
       4.10    4.14
   
       -105.20157840 
       -105.14516611 
       -105.18277430 
   
  
  
       1.79    2.05
       2.01    2.27
   
       -105.20210309 
       -105.14569092 
       -105.18329903