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 
    
   
   
           0.42741833       0.52210484       0.59247328 
           0.22387800       0.54628246       0.42624780 
           0.52727595       0.66437157       0.53311902 
           0.33490456       0.37201545       0.67146906 
           0.27334895       0.46874779       0.45080189 
           0.62248936       0.71878833       0.69220552 
           0.69514225       0.61191576       0.44433794 
           0.42132980       0.40391627       0.76673161 
           0.53565952       0.80598165       0.44648015 
           0.25556374       0.27061318       0.68307599 
           0.39084428       0.22571714       0.73835937 
           0.34077486       0.30282543       0.58116795 
           0.18325329       0.43839911       0.40062321 
           0.27347377       0.41048932       0.33534721 
           0.24192358       0.53244662       0.38581943 
           0.55037482       0.75039052       0.75412744 
           0.68574148       0.80909786       0.70822954 
           0.65611811       0.64009131       0.76698029 
           0.67591874       0.57380972       0.34045577 
           0.74343598       0.51297588       0.48111729 
           0.77609954       0.68761879       0.41525532 
           0.15311874       0.59327508       0.62965494 
           0.24992011       0.77873781       0.60952832 
   
  
  
           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 
   
  
  
          0.42741833       0.52210484       0.59247328 
          0.22387800       0.54628246       0.42624780 
          0.52727595       0.66437157       0.53311902 
          0.33490456       0.37201545       0.67146906 
          0.27334895       0.46874779       0.45080189 
          0.62248936       0.71878833       0.69220552 
          0.69514225       0.61191576       0.44433794 
          0.42132980       0.40391627       0.76673161 
          0.53565952       0.80598165       0.44648015 
          0.25556374       0.27061318       0.68307599 
          0.39084428       0.22571714       0.73835937 
          0.34077486       0.30282543       0.58116795 
          0.18325329       0.43839911       0.40062321 
          0.27347377       0.41048932       0.33534721 
          0.24192358       0.53244662       0.38581943 
          0.55037482       0.75039052       0.75412744 
          0.68574148       0.80909786       0.70822954 
          0.65611811       0.64009131       0.76698029 
          0.67591874       0.57380972       0.34045577 
          0.74343598       0.51297588       0.48111729 
          0.77609954       0.68761879       0.41525532 
          0.15311874       0.59327508       0.62965494 
          0.24992011       0.77873781       0.60952832 
  
 
 
  
       8.10    8.20
       8.75    8.86
   
          8.19223027 
       1090.67344081 
      -2218.00260349 
        111.92593016 
       1193.66451248 
      -1163.87096665 
         -0.00708019 
       -305.24608097 
       1678.55807637 
        395.88745878 
        395.89453897 
        395.88981884 
   
  
  
      11.89   11.94
      11.89   11.94
   
         67.91920037 
         67.93614513 
         67.92484863 
   
  
  
      11.42   11.47
      11.43   11.47
   
        -21.29725336 
        -21.27641988 
        -21.29030887 
   
  
  
      10.68   10.73
      10.68   10.73
   
        -26.45707690 
        -26.42853919 
        -26.44756433 
   
  
  
      10.97   11.02
      11.06   11.11
   
        -26.60639750 
        -26.58222131 
        -26.59833877 
   
  
  
       9.78    9.87
      10.34   10.43
   
        -23.22859406 
        -23.20366678 
        -23.22028496 
   
  
  
       8.79    8.84
       9.32    9.37
   
        -13.77952540 
        -13.76393385 
        -13.77432821 
   
  
  
      10.07   10.11
      10.58   10.63
   
          3.20669141 
          3.26354452 
          3.22564245 
   
  
  
       9.59    9.63
      10.11   10.15
   
          2.47600086 
          2.50845427 
          2.48681866 
   
  
  
      10.53   10.58
      11.07   11.12
   
          2.68940742 
          2.74555565 
          2.70812350 
   
  
  
       9.18    9.23
       9.74    9.78
   
          2.54625733 
          2.60523114 
          2.56591526 
   
  
  
       8.86    8.92
       9.39    9.45
   
          2.73717233 
          2.82521564 
          2.76652010 
   
  
  
      10.58   10.66
      11.11   11.19
   
          2.74374086 
          2.82961909 
          2.77236693 
   
  
  
       8.83    8.89
       9.39    9.45
   
          2.75757734 
          2.76335504 
          2.75950324 
   
  
  
       8.93    8.99
       9.47    9.52
   
          2.31818993 
          2.27896858 
          2.30511615 
   
  
  
       8.39    8.44
       8.91    8.96
   
          2.43393130 
          2.45388583 
          2.44058281 
   
  
  
      10.15   10.20
      10.69   10.74
   
          2.27599744 
          2.25511857 
          2.26903782 
   
  
  
       8.90    8.96
       9.44    9.51
   
          1.96931354 
          2.00860153 
          1.98240954 
   
  
  
      11.02   11.07
      11.57   11.62
   
          8.19144073 
          8.22288405 
          8.20192184 
   
  
  
      10.42   10.47
      10.97   11.02
   
          9.40973936 
          9.42064996 
          9.41337623 
   
  
  
      10.42   10.48
      10.96   11.02
   
          7.92032563 
          7.92347454 
          7.92137526 
   
  
  
       8.71    8.76
       9.25    9.30
   
         12.89617877 
         12.87755894 
         12.88997216 
   
  
  
       8.85    8.91
       9.41    9.47
   
         14.01278722 
         14.00678978 
         14.01078808 
   
  
  
       9.95   10.01
      10.52   10.59
   
         22.90913750 
         22.90250389 
         22.90692629 
   
  
  
       9.75    9.81
      10.34   10.40
   
         58.13832420 
         58.12574448 
         58.13413096 
   
  
  
       9.48    9.55
      10.03   10.10
   
         89.60961762 
         89.60377972 
         89.60767165 
   
  
  
       9.12    9.18
       9.70    9.76
   
         84.09923876 
         84.09339865 
         84.09729206 
   
  
  
       9.55    9.60
      10.18   10.23
   
        166.80449552 
        166.83856381 
        166.81585162 
   
  
  
       9.90    9.95
      10.57   10.62
   
         90.55670792 
         90.54745425 
         90.55362337 
   
  
  
       8.98    9.03
       9.58    9.63
   
        195.03016307 
        195.00906082 
        195.02312899 
   
  
  
      10.09   10.14
      10.67   10.73
   
         70.59627286 
         70.56681657 
         70.58645410 
   
  
  
       9.30    9.37
       9.85    9.92
   
      -2621.02413721 
      -2621.03964802 
      -2621.02930748