vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 06 
  12:35:45 
 
 
  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      0.77000000      0.75000000      0.73000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           15.00000000       0.00000000       0.00000000 
            0.00000000      10.00000000       0.00000000 
            0.00000000       0.00000000      10.00000000 
    
       1500.00000000 
    
            0.06666667       0.00000000       0.00000000 
            0.00000000       0.10000000       0.00000000 
            0.00000000       0.00000000       0.10000000 
    
   
   
           0.31334629       0.48803403       0.54721737 
           0.48249238       0.47300637       0.54400756 
           0.39675839       0.42878124       0.67571801 
           0.40265947       0.52264600       0.41735982 
           0.50672049       0.71721895       0.65201740 
           0.22020145       0.64463684       0.70531688 
           0.55727109       0.23752781       0.40957860 
           0.58902693       0.25250340       0.63059687 
           0.21260289       0.25914529       0.57865727 
           0.18559809       0.39745004       0.37554789 
           0.23918081       0.37512646       0.49851245 
           0.54915263       0.31767152       0.52205249 
           0.54854339       0.59639447       0.59317840 
           0.27755712       0.63994955       0.59299817 
           0.69395840       0.48466563       0.39895309 
           0.40238218       0.48380721       0.77048481 
           0.39455546       0.32505295       0.70090784 
           0.42617622       0.62163332       0.38684074 
           0.39915690       0.46242455       0.32685973 
           0.45041342       0.75714790       0.58335310 
           0.56470613       0.78823241       0.65736245 
           0.48017198       0.68988429       0.75464735 
           0.25398062       0.61212443       0.79901986 
           0.20108003       0.74930312       0.71848712 
           0.15849560       0.58385917       0.69231626 
           0.63125778       0.21886961       0.37527005 
           0.52237182       0.27758739       0.32318961 
           0.52735841       0.13615139       0.43059372 
           0.57155322       0.30901698       0.72387536 
           0.66592496       0.24088772       0.62792153 
           0.55712244       0.14853301       0.64270658 
           0.25695297       0.25431457       0.66735920 
           0.21976354       0.16949326       0.51713123 
           0.14310163       0.26856948       0.60895051 
           0.19149422       0.30937843       0.31045114 
           0.21172075       0.48688209       0.32340643 
           0.11532886       0.41215550       0.40098255 
           0.66092459       0.57045182       0.41204161 
           0.63917462       0.42526105       0.45746724 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
          23 
          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
          36 
          37 
          38 
          39 
  
 
 
  
          2        3        3 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.33333333       0.00000000 
         0.00000000       0.00000000       0.33333333 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.33333333       0.00000000 
          0.00000000       0.00000000       0.33333333 
          0.50000000       0.33333333       0.00000000 
          0.50000000       0.00000000       0.33333333 
          0.00000000       0.33333333       0.33333333 
          0.00000000      -0.33333333       0.33333333 
          0.50000000       0.33333333       0.33333333 
          0.50000000      -0.33333333       0.33333333 
  
  
          0.05555556 
          0.05555556 
          0.11111111 
          0.11111111 
          0.11111111 
          0.11111111 
          0.11111111 
          0.11111111 
          0.11111111 
          0.11111111 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       66
       -1
       -1
        92.00000000
        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      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
           0.00000004
           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
   
  
  
       80
       50
       50
      160
      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      0.77000000      0.75000000      0.73000000      0.32000000
      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     12.01100000     14.00100000     16.00000000      1.00000000
         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
        23.07692308
         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  
  
 
 
        39 
         5 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    N    3
    N    3
    O    4
    O    4
    O    4
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       2Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       8C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       2N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
       3O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      24H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          15.00000000       0.00000000       0.00000000 
           0.00000000      10.00000000       0.00000000 
           0.00000000       0.00000000      10.00000000 
   
      1500.00000000 
   
           0.06666667       0.00000000       0.00000000 
           0.00000000       0.10000000       0.00000000 
           0.00000000       0.00000000       0.10000000 
   
  
  
          0.31334629       0.48803403       0.54721737 
          0.48249238       0.47300637       0.54400756 
          0.39675839       0.42878124       0.67571801 
          0.40265947       0.52264600       0.41735982 
          0.50672049       0.71721895       0.65201740 
          0.22020145       0.64463684       0.70531688 
          0.55727109       0.23752781       0.40957860 
          0.58902693       0.25250340       0.63059687 
          0.21260289       0.25914529       0.57865727 
          0.18559809       0.39745004       0.37554789 
          0.23918081       0.37512646       0.49851245 
          0.54915263       0.31767152       0.52205249 
          0.54854339       0.59639447       0.59317840 
          0.27755712       0.63994955       0.59299817 
          0.69395840       0.48466563       0.39895309 
          0.40238218       0.48380721       0.77048481 
          0.39455546       0.32505295       0.70090784 
          0.42617622       0.62163332       0.38684074 
          0.39915690       0.46242455       0.32685973 
          0.45041342       0.75714790       0.58335310 
          0.56470613       0.78823241       0.65736245 
          0.48017198       0.68988429       0.75464735 
          0.25398062       0.61212443       0.79901986 
          0.20108003       0.74930312       0.71848712 
          0.15849560       0.58385917       0.69231626 
          0.63125778       0.21886961       0.37527005 
          0.52237182       0.27758739       0.32318961 
          0.52735841       0.13615139       0.43059372 
          0.57155322       0.30901698       0.72387536 
          0.66592496       0.24088772       0.62792153 
          0.55712244       0.14853301       0.64270658 
          0.25695297       0.25431457       0.66735920 
          0.21976354       0.16949326       0.51713123 
          0.14310163       0.26856948       0.60895051 
          0.19149422       0.30937843       0.31045114 
          0.21172075       0.48688209       0.32340643 
          0.11532886       0.41215550       0.40098255 
          0.66092459       0.57045182       0.41204161 
          0.63917462       0.42526105       0.45746724 
  
 
 
  
      11.71   11.79
      12.14   12.23
   
         21.59967643 
       3663.29293548 
      -6295.29895143 
        266.08672279 
       2545.15452263 
      -2522.51425245 
          0.00115635 
       -576.21377497 
       3508.37606032 
        610.48409515 
        610.48293879 
        610.48370970 
   
  
  
      15.95   15.97
      15.95   15.97
   
        -71.73595566 
        -71.74318917 
        -71.73836683 
   
  
  
      13.64   13.66
      13.64   13.66
   
       -224.63734219 
       -224.64995534 
       -224.64154657 
   
  
  
      14.28   14.30
      14.28   14.30
   
       -231.96769695 
       -231.97935332 
       -231.97158241 
   
  
  
      15.43   15.45
      15.52   15.54
   
       -232.18646475 
       -232.19810984 
       -232.19034644 
   
  
  
      13.77   13.81
      14.14   14.18
   
       -212.62381245 
       -212.63713739 
       -212.62825410 
   
  
  
      14.76   14.81
      15.17   15.22
   
       -209.96283850 
       -209.97957065 
       -209.96841588 
   
  
  
      14.10   14.16
      14.53   14.58
   
       -209.15449857 
       -209.17743053 
       -209.16214256 
   
  
  
      14.15   14.20
      14.57   14.63
   
       -209.00816745 
       -209.03355961 
       -209.01663150 
   
  
  
      14.37   14.43
      14.79   14.85
   
       -208.99319669 
       -209.01667519 
       -209.00102286 
   
  
  
      14.89   14.93
      15.35   15.39
   
       -208.99338159 
       -209.01837692 
       -209.00171337 
   
  
  
      12.67   12.74
      13.11   13.19
   
       -208.99548904 
       -209.02080346 
       -209.00392718 
   
  
  
      13.15   13.22
      13.62   13.69
   
       -209.00014602 
       -209.02584177 
       -209.00871127 
   
  
  
      12.84   12.88
      13.24   13.28
   
       -209.01045083 
       -209.03407283 
       -209.01832483 
   
  
  
      14.55   14.61
      15.00   15.06
   
       -209.01504386 
       -209.04084157 
       -209.02364309 
   
  
  
      13.58   13.64
      13.98   14.05
   
       -209.01821526 
       -209.04393681 
       -209.02678911 
   
  
  
      14.43   14.50
      14.83   14.90
   
       -209.02216717 
       -209.04706983 
       -209.03046806 
   
  
  
      14.16   14.24
      14.60   14.68
   
       -209.02422192 
       -209.04913781 
       -209.03252722 
   
  
  
      13.11   13.17
      13.54   13.60
   
       -209.02574226 
       -209.05068760 
       -209.03405737 
   
  
  
      13.31   13.37
      13.79   13.85
   
       -209.02619825 
       -209.05123226 
       -209.03454292 
   
  
  
      11.82   11.88
      12.26   12.31
   
       -209.02652267 
       -209.05145330 
       -209.03483288 
   
  
  
      11.17   11.24
      11.65   11.71
   
       -209.02661640 
       -209.05154741 
       -209.03492673 
   
  
  
      10.63   10.67
      11.12   11.16
   
       -209.02668191 
       -209.05166856 
       -209.03501079 
   
  
  
      10.01   10.06
      10.45   10.51
   
       -209.02671015 
       -209.05167772 
       -209.03503267