vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2026 01 04 
  18:38:12 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.32000000      0.77000000
        1.00000000
        0.00100000      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
      0.10700000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           14.00000000       0.00000000       0.00000000 
            0.00000000      12.00000000       0.00000000 
            0.00000000       0.00000000      12.00000000 
    
       2016.00000000 
    
            0.07142857       0.00000000       0.00000000 
            0.00000000       0.08333333       0.00000000 
            0.00000000       0.00000000       0.08333333 
    
   
   
           0.61474988       0.56874077       0.50759893 
           0.66018281       0.61496127       0.38751007 
           0.65912011       0.64520067       0.61097235 
           0.68126139       0.45182094       0.53321569 
           0.47896522       0.55999682       0.50045128 
           0.58076391       0.60254657       0.24168390 
           0.53738697       0.70100104       0.33987712 
           0.61459253       0.79554819       0.17646743 
           0.72387046       0.72443749       0.20486335 
           0.67916870       0.82471565       0.30143109 
           0.65693211       0.81421686       0.56490057 
           0.54821582       0.76094576       0.62130182 
           0.62997289       0.88442229       0.75877650 
           0.73425865       0.79889862       0.75320126 
           0.62590421       0.74461420       0.80957175 
           0.62933115       0.30520680       0.46393214 
           0.69064943       0.39411162       0.36839793 
           0.78950837       0.22687967       0.41763666 
           0.78550079       0.26536626       0.56125888 
           0.84599908       0.35218874       0.46339355 
           0.32307656       0.55340845       0.48277049 
           0.60204572       0.66793239       0.30066738 
           0.65868725       0.75831509       0.24300163 
           0.62596917       0.76063006       0.62975961 
           0.65610290       0.79870629       0.74461507 
           0.69140321       0.36007540       0.45325047 
           0.78366245       0.29793179       0.47584777 
   
  
  
           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 
  
 
 
  
          1        2        2 
         0.00000000       0.00000000       0.00000000 
         1.00000000       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 
          0.00000000       0.50000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.00000000       0.50000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       48
       -1
       -1
        63.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     F  
          0.00100000      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
      0.10700000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
          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
           0.00000005
           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
   
  
  
       70
       60
       60
      140
      120
      120
    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
      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
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000      1.00000000     12.01100000
         0.00000000      0.00000000      0.00000000      0.00000000
         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
        44.80000000
         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  
  
 
 
        27 
         4 
  
   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
    H    3
    H    3
    H    3
    H    3
    H    3
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       3O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      17H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       6C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
   
  
 
 
  
   
          14.00000000       0.00000000       0.00000000 
           0.00000000      12.00000000       0.00000000 
           0.00000000       0.00000000      12.00000000 
   
      2016.00000000 
   
           0.07142857       0.00000000       0.00000000 
           0.00000000       0.08333333       0.00000000 
           0.00000000       0.00000000       0.08333333 
   
  
  
          0.61474988       0.56874077       0.50759893 
          0.66018281       0.61496127       0.38751007 
          0.65912011       0.64520067       0.61097235 
          0.68126139       0.45182094       0.53321569 
          0.47896522       0.55999682       0.50045128 
          0.58076391       0.60254657       0.24168390 
          0.53738697       0.70100104       0.33987712 
          0.61459253       0.79554819       0.17646743 
          0.72387046       0.72443749       0.20486335 
          0.67916870       0.82471565       0.30143109 
          0.65693211       0.81421686       0.56490057 
          0.54821582       0.76094576       0.62130182 
          0.62997289       0.88442229       0.75877650 
          0.73425865       0.79889862       0.75320126 
          0.62590421       0.74461420       0.80957175 
          0.62933115       0.30520680       0.46393214 
          0.69064943       0.39411162       0.36839793 
          0.78950837       0.22687967       0.41763666 
          0.78550079       0.26536626       0.56125888 
          0.84599908       0.35218874       0.46339355 
          0.32307656       0.55340845       0.48277049 
          0.60204572       0.66793239       0.30066738 
          0.65868725       0.75831509       0.24300163 
          0.62596917       0.76063006       0.62975961 
          0.65610290       0.79870629       0.74461507 
          0.69140321       0.36007540       0.45325047 
          0.78366245       0.29793179       0.47584777 
  
 
 
  
       6.00    6.14
       6.58    6.73
   
          7.57899788 
       2872.24812013 
      -4716.17943162 
        191.31639480 
       1815.17967868 
      -1806.54975558 
          0.00990774 
       -441.69774720 
       2494.75543287 
        416.66159770 
        416.65168996 
        416.65829512 
   
  
  
       8.27    8.28
       8.27    8.28
   
         -8.07253982 
         -8.07241929 
         -8.07249965 
   
  
  
       7.05    7.08
       7.05    7.08
   
       -145.86276675 
       -145.87508562 
       -145.86687304 
   
  
  
       6.68    6.70
       6.69    6.70
   
       -155.43561679 
       -155.44721401 
       -155.43948253 
   
  
  
       7.45    7.46
       7.52    7.53
   
       -155.67087163 
       -155.68246744 
       -155.67473690 
   
  
  
       5.34    5.35
       5.85    5.86
   
       -140.21357927 
       -140.22583102 
       -140.21766319 
   
  
  
       6.10    6.12
       6.61    6.64
   
       -141.04761262 
       -141.06055769 
       -141.05192764 
   
  
  
       5.93    5.95
       6.46    6.47
   
       -140.15164542 
       -140.17050095 
       -140.15793060 
   
  
  
       5.80    5.82
       6.34    6.36
   
       -141.07178577 
       -141.08684916 
       -141.07680690 
   
  
  
       5.96    5.98
       6.52    6.54
   
       -141.32664989 
       -141.34003864 
       -141.33111281