vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 05 
  20:17:19 
 
 
  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      0.77000000      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 
    
   
   
           0.36154798       0.42664970       0.54459637 
           0.53257925       0.41088575       0.53887840 
           0.44939110       0.40594667       0.68141817 
           0.44582668       0.43948604       0.40490401 
           0.61193869       0.17292182       0.61429573 
           0.70920337       0.20115559       0.64695935 
           0.25014464       0.60368138       0.66511631 
           0.15546157       0.62554377       0.61550156 
           0.65056444       0.58745037       0.42242993 
           0.65710028       0.58380680       0.66536812 
           0.26365516       0.21131950       0.64988633 
           0.24919825       0.25119645       0.41233874 
           0.29482354       0.28709874       0.53514287 
           0.60802605       0.54425629       0.54616529 
           0.57802920       0.26092346       0.51359167 
           0.30818589       0.57215648       0.55565136 
           0.44931173       0.49104503       0.75044682 
           0.44907873       0.31180800       0.73802165 
           0.44802316       0.53868327       0.35788580 
           0.44161849       0.36057236       0.32877247 
           0.60430146       0.07046710       0.57538145 
           0.57058961       0.18015754       0.70551710 
           0.73533696       0.12544156       0.71676103 
           0.71718776       0.29989798       0.69412649 
           0.75014176       0.19886756       0.55570553 
           0.25189272       0.52304430       0.74083470 
           0.27658375       0.69483595       0.71295673 
           0.11139881       0.65381427       0.69881280 
           0.12880667       0.53409613       0.56950262 
           0.15319905       0.70615843       0.54095645 
           0.65756657       0.69742399       0.42021446 
           0.61000101       0.55709834       0.33593235 
           0.71782458       0.54316701       0.41042784 
           0.62124025       0.55296141       0.75626332 
           0.66461252       0.69375194       0.66846498 
           0.72496959       0.53987640       0.66820625 
           0.30035148       0.24039531       0.74036633 
           0.27382960       0.10291786       0.63376581 
           0.19170106       0.22778124       0.66896377 
           0.25910059       0.14413157       0.38973134 
           0.27545508       0.30958422       0.32801800 
           0.17660316       0.26978038       0.41839294 
           0.49636187       0.68556324       0.59598548 
   
  
  
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          43 
  
 
 
  
          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
       92
       -1
       -1
        97.00000000
        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  
          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
      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
           0.00000003
           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
  
  
        1
        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
        20.93023256
         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  
  
 
 
        43 
         5 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    N    3
    N    3
    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
    H    5
    H    5
    H    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       2Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      10C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       2N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
       2O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      27H       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 
   
  
  
          0.36154798       0.42664970       0.54459637 
          0.53257925       0.41088575       0.53887840 
          0.44939110       0.40594667       0.68141817 
          0.44582668       0.43948604       0.40490401 
          0.61193869       0.17292182       0.61429573 
          0.70920337       0.20115559       0.64695935 
          0.25014464       0.60368138       0.66511631 
          0.15546157       0.62554377       0.61550156 
          0.65056444       0.58745037       0.42242993 
          0.65710028       0.58380680       0.66536812 
          0.26365516       0.21131950       0.64988633 
          0.24919825       0.25119645       0.41233874 
          0.29482354       0.28709874       0.53514287 
          0.60802605       0.54425629       0.54616529 
          0.57802920       0.26092346       0.51359167 
          0.30818589       0.57215648       0.55565136 
          0.44931173       0.49104503       0.75044682 
          0.44907873       0.31180800       0.73802165 
          0.44802316       0.53868327       0.35788580 
          0.44161849       0.36057236       0.32877247 
          0.60430146       0.07046710       0.57538145 
          0.57058961       0.18015754       0.70551710 
          0.73533696       0.12544156       0.71676103 
          0.71718776       0.29989798       0.69412649 
          0.75014176       0.19886756       0.55570553 
          0.25189272       0.52304430       0.74083470 
          0.27658375       0.69483595       0.71295673 
          0.11139881       0.65381427       0.69881280 
          0.12880667       0.53409613       0.56950262 
          0.15319905       0.70615843       0.54095645 
          0.65756657       0.69742399       0.42021446 
          0.61000101       0.55709834       0.33593235 
          0.71782458       0.54316701       0.41042784 
          0.62124025       0.55296141       0.75626332 
          0.66461252       0.69375194       0.66846498 
          0.72496959       0.53987640       0.66820625 
          0.30035148       0.24039531       0.74036633 
          0.27382960       0.10291786       0.63376581 
          0.19170106       0.22778124       0.66896377 
          0.25910059       0.14413157       0.38973134 
          0.27545508       0.30958422       0.32801800 
          0.17660316       0.26978038       0.41839294 
          0.49636187       0.68556324       0.59598548 
  
 
 
  
      40.46   40.63
      41.11   41.28
   
         24.40464528 
       3608.24274515 
      -6115.72850155 
        283.49232767 
       2410.85780175 
      -2387.44800667 
          0.00696636 
       -587.12509653 
       3407.80321003 
        644.50609148 
        644.49912512 
        644.50376936 
   
  
  
      50.09   50.08
      50.09   50.09
   
        -57.88959712 
        -57.89129892 
        -57.89016439 
   
  
  
      48.38   48.37
      48.38   48.37
   
       -197.95727501 
       -197.97594287 
       -197.96349763