vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2026 01 31 
  19:49:33 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        0.73000000      1.11000000      0.77000000      0.32000000      0.75000000
        0.10600000      0.02000000      0.02000000      0.00800000      0.05300000      0.06000000      0.01100000      0.00300000      0.00400000      0.00000000      0.00000000      0.00000000      0.00100000      0.00000000      0.00000000      0.00000000      0.00100000      0.00000000      0.00100000      0.00000000
      0.00000000     -0.00600000      1.08700000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           11.00000000       0.00000000       0.00000000 
            0.00000000      10.00000000       0.00000000 
            0.00000000       0.00000000      10.00000000 
    
       1100.00000000 
    
            0.09090909       0.00000000       0.00000000 
            0.00000000       0.10000000       0.00000000 
            0.00000000       0.00000000       0.10000000 
    
   
   
           0.42888930       0.52190737       0.59354252 
           0.22607233       0.54197477       0.42488831 
           0.52655471       0.66412339       0.53342278 
           0.33512448       0.37454421       0.67135994 
           0.27083953       0.46786795       0.43991979 
           0.62250710       0.71892732       0.69242540 
           0.69569964       0.61147687       0.44385793 
           0.41539640       0.41680733       0.76751899 
           0.53490116       0.80445725       0.44724529 
           0.25522932       0.27066094       0.68379315 
           0.39112085       0.22704320       0.73963643 
           0.34114984       0.30348325       0.58408493 
           0.18411928       0.43906514       0.40001354 
           0.27262013       0.41062933       0.33068370 
           0.24043012       0.53398924       0.37856748 
           0.54987471       0.75063069       0.75421392 
           0.68577522       0.80893896       0.70798799 
           0.65629765       0.63995340       0.76681827 
           0.67586889       0.57367684       0.34014411 
           0.74362044       0.51297901       0.48121748 
           0.77580426       0.68744148       0.41551134 
           0.15291382       0.59354589       0.63208418 
           0.25719950       0.76648789       0.62467111 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
          23 
  
 
 
  
          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
       39
       -1
       -1
        50.00000000
        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  
          0.10600000      0.02000000      0.02000000      0.00800000      0.05300000      0.06000000      0.01100000      0.00300000      0.00400000      0.00000000      0.00000000      0.00000000      0.00100000      0.00000000      0.00000000      0.00000000      0.00100000      0.00000000      0.00100000      0.00000000
      0.00000000     -0.00600000      1.08700000
         -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
           0.00000006
           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
   
  
  
       54
       50
       50
      108
      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
         0.73000000      1.11000000      0.77000000      0.32000000      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  
        16.00000000     28.08500000     12.01100000      1.00000000     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
        28.69565217
         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  
  
 
 
        23 
         5 
  
   ion
   element
   atomtype
   
    O    1
    Si   2
    Si   2
    C    3
    C    3
    C    3
    C    3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    N    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       4C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      15H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
   
  
 
 
  
   
          11.00000000       0.00000000       0.00000000 
           0.00000000      10.00000000       0.00000000 
           0.00000000       0.00000000      10.00000000 
   
      1100.00000000 
   
           0.09090909       0.00000000       0.00000000 
           0.00000000       0.10000000       0.00000000 
           0.00000000       0.00000000       0.10000000 
   
  
  
          0.42888930       0.52190737       0.59354252 
          0.22607233       0.54197477       0.42488831 
          0.52655471       0.66412339       0.53342278 
          0.33512448       0.37454421       0.67135994 
          0.27083953       0.46786795       0.43991979 
          0.62250710       0.71892732       0.69242540 
          0.69569964       0.61147687       0.44385793 
          0.41539640       0.41680733       0.76751899 
          0.53490116       0.80445725       0.44724529 
          0.25522932       0.27066094       0.68379315 
          0.39112085       0.22704320       0.73963643 
          0.34114984       0.30348325       0.58408493 
          0.18411928       0.43906514       0.40001354 
          0.27262013       0.41062933       0.33068370 
          0.24043012       0.53398924       0.37856748 
          0.54987471       0.75063069       0.75421392 
          0.68577522       0.80893896       0.70798799 
          0.65629765       0.63995340       0.76681827 
          0.67586889       0.57367684       0.34014411 
          0.74362044       0.51297901       0.48121748 
          0.77580426       0.68744148       0.41551134 
          0.15291382       0.59354589       0.63208418 
          0.25719950       0.76648789       0.62467111 
  
 
 
  
       8.81    8.91
       9.58    9.68
   
          8.19223027 
       1112.95836700 
      -2225.09625406 
        112.01778145 
       1193.66451248 
      -1163.87096665 
         -0.00261696 
       -309.07328465 
       1678.55807637 
        407.34784524 
        407.35046219 
        407.34871756 
   
  
  
      12.04   12.08
      12.04   12.08
   
         75.21078997 
         75.23495174 
         75.21884389 
   
  
  
      11.34   11.39
      11.34   11.39
   
        -16.84328962 
        -16.81598263 
        -16.83418729 
   
  
  
      10.72   10.76
      10.72   10.76
   
        -22.79616315 
        -22.79584225 
        -22.79605619 
   
  
  
      10.75   10.81
      10.88   10.94
   
        -22.92493082 
        -22.92526472 
        -22.92504212 
   
  
  
      10.29   10.36
      11.33   11.40
   
        -18.64100359 
        -18.65124362 
        -18.64441694 
   
  
  
       8.93    8.97
       9.65    9.70
   
         -2.89664476 
         -2.89992213 
         -2.89773722 
   
  
  
       9.58    9.65
      10.15   10.23
   
          9.77724169 
          9.71792905 
          9.75747081 
   
  
  
       9.91    9.96
      10.43   10.48
   
         10.25076434 
         10.23499252 
         10.24550707 
   
  
  
      10.11   10.17
      10.65   10.71
   
          9.84865790 
          9.88927224 
          9.86219601 
   
  
  
       9.45    9.49
      10.01   10.05
   
          9.43540450 
          9.41405502 
          9.42828801 
   
  
  
       9.32    9.38
      10.02   10.08
   
          9.21767581 
          9.19923319 
          9.21152827 
   
  
  
       9.49    9.54
      10.03   10.08
   
         46.83040163 
         46.82176880 
         46.82752402 
   
  
  
      10.46   10.52
      11.05   11.11
   
         43.75525899 
         43.74194390 
         43.75082063 
   
  
  
      10.28   10.35
      10.89   10.96
   
         35.63754657 
         35.60876433 
         35.62795249 
   
  
  
      10.46   10.51
      11.02   11.08
   
         29.32012723 
         29.33365225 
         29.32463557 
   
  
  
      10.41   10.45
      10.94   10.98
   
         23.86539758 
         23.88631375 
         23.87236964 
   
  
  
       9.05    9.10
       9.59    9.64
   
         18.07991876 
         18.12425677 
         18.09469810 
   
  
  
      10.71   10.76
      11.27   11.32
   
         16.38991036 
         16.43334924 
         16.40438999 
   
  
  
       9.96   10.02
      10.65   10.72
   
         15.80814573 
         15.86291389 
         15.82640179 
   
  
  
      10.20   10.26
      10.85   10.91
   
         14.76295003 
         14.81338906 
         14.77976304 
   
  
  
      10.02   10.07
      10.62   10.67
   
         14.76231226 
         14.81297705 
         14.77920052 
   
  
  
       9.53    9.60
      10.09   10.16
   
         15.57185122 
         15.62416983 
         15.58929075 
   
  
  
      10.15   10.22
      10.70   10.77
   
         15.54388528 
         15.59616698 
         15.56131251 
   
  
  
       9.37    9.43
       9.97   10.02
   
         15.66245764 
         15.71342194 
         15.67944574 
   
  
  
       9.29    9.34
       9.84    9.89
   
         14.39600821 
         14.45602538 
         14.41601393 
   
  
  
      11.18   11.23
      11.78   11.83
   
         14.22005962 
         14.28109908 
         14.24040611 
   
  
  
       9.40    9.46
      10.07   10.13
   
         13.34399843 
         13.39728359 
         13.36176015 
   
  
  
       9.00    9.07
       9.57    9.64
   
         13.40373848 
         13.46699748 
         13.42482482 
   
  
  
      10.28   10.33
      10.87   10.92
   
         13.79906676 
         13.86348400 
         13.82053918 
   
  
  
       8.98    9.02
       9.55    9.60
   
         14.05623671 
         14.12460179 
         14.07902507 
   
  
  
       7.42    7.49
       7.99    8.05
   
         14.42352965 
         14.49087103 
         14.44597677 
   
  
  
       7.45    7.53
       8.00    8.08
   
         15.25035351 
         15.31115359 
         15.27062021 
   
  
  
       6.66    6.72
       7.23    7.29
   
         15.33435861 
         15.38960720 
         15.35277481 
   
  
  
       5.39    5.43
       5.91    5.96
   
         14.51693771 
         14.56297711 
         14.53228418 
   
  
  
       4.66    4.72
       5.20    5.26
   
         15.34438645 
         15.40295569 
         15.36390953 
   
  
  
       4.69    4.73
       5.21    5.25
   
         14.58454585 
         14.62866354 
         14.59925175 
   
  
  
       4.77    4.82
       5.28    5.32
   
         14.97575081 
         15.03084593 
         14.99411585