vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 06 
  18:51:41 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.77000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      25.32620000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       2103.26511137 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.03948480       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
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           0.49644838       0.23471518       0.42797169 
           0.74644838       0.23471518       0.31298629 
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           0.74644838       0.38413667       0.30875670 
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           0.74644838       0.23471518       0.81298629 
           0.74644838       0.30763254       0.68236915 
           0.49644838       0.38413667       0.93220128 
           0.74644838       0.38413667       0.80875670 
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           0.34270437       0.71441545       0.63523162 
           0.19546783       0.68510406       0.53007380 
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           0.81111311       0.63955026       0.56583738 
           0.96331536       0.64655994       0.75668126 
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           0.56733656       0.74312328       0.66382407 
           0.49317738       0.71482609       0.80782132 
   
  
  
           1 
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          43 
          44 
          45 
          46 
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          48 
          49 
          50 
          51 
          52 
          53 
          54 
  
 
 
  
          3        1        2 
         0.00000000       0.00000000       0.00000000 
         0.33333333       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
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          0.33333333       0.00000000       0.50000000 
  
  
          0.16666667 
          0.33333333 
          0.16666667 
          0.33333333 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
      123
       -1
       -1
       190.00000000
        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
   
   
         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
      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  
   
   
        60
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000002
           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
   
  
  
       40
      126
       54
       80
      252
      108
    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      0.77000000      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     16.00000000     12.01100000      1.00000000
         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
        23.36961235
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
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    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
       60
        1
        3
        4
        0
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      -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  
  
 
 
        54 
         4 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    O    2
    O    2
    C    3
    C    3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      40Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       2O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      10H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      25.32620000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      2103.26511137 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.03948480       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.99285773       0.46365188       0.04565816 
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          0.22820794       0.53532053       0.82140292 
          0.24644838       0.23471518       0.81298629 
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          0.24644838       0.30763254       0.68236915 
          0.99644838       0.38413667       0.93220128 
          0.24644838       0.38413667       0.80875670 
          0.49476239       0.45972857       0.05886461 
          0.51591642       0.54039663       0.44682068 
          0.75014047       0.45715529       0.17632455 
          0.77243206       0.51764825       0.33808992 
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          0.74644838       0.23471518       0.31298629 
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          0.74644838       0.38413667       0.30875670 
          0.48784860       0.45928277       0.55973086 
          0.48658772       0.53530197       0.94008558 
          0.74435157       0.45959823       0.67900937 
          0.74666465       0.52655285       0.83092011 
          0.49644838       0.23471518       0.92797169 
          0.74644838       0.23471518       0.81298629 
          0.74644838       0.30763254       0.68236915 
          0.49644838       0.38413667       0.93220128 
          0.74644838       0.38413667       0.80875670 
          0.15632243       0.64983612       0.75605262 
          0.64659975       0.63312519       0.63823374 
          0.24112850       0.59056332       0.73841005 
          0.53072158       0.59608139       0.53612172 
          0.20765699       0.69588012       0.63037190 
          0.59841197       0.71261259       0.73515687 
          0.34270437       0.71441545       0.63523162 
          0.19546783       0.68510406       0.53007380 
          0.22499643       0.67128139       0.87302644 
          0.81111311       0.63955026       0.56583738 
          0.96331536       0.64655994       0.75668126 
          0.69749419       0.58663392       0.73213750 
          0.72101711       0.72666907       0.77999748 
          0.03351580       0.72599025       0.68865738 
          0.56733656       0.74312328       0.66382407 
          0.49317738       0.71482609       0.80782132 
  
  
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      12.67   12.86
      13.06   13.25
   
         40.50514279 
      17662.63631439 
     -22410.31049585 
       -275.98463625 
       4456.43530550 
      -3757.52896329 
         -0.00496113 
       -216.15627082 
       5406.19701560 
        905.78845095 
        905.79341208 
        905.79010466 
   
  
  
      15.73   15.73
      15.73   15.73
   
       -139.59845124 
       -139.60556584 
       -139.60082277 
   
  
  
      16.38   16.38
      16.38   16.38
   
       -272.92569738 
       -272.96316896 
       -272.93818790 
   
  
  
      15.97   15.97
      15.97   15.97
   
       -278.37830802 
       -278.41809275 
       -278.39156960 
   
  
  
      17.41   17.41
      17.58   17.58
   
       -278.54044119 
       -278.58017039 
       -278.55368425 
   
  
  
      15.28   15.28
      15.93   15.93
   
       -266.77921568 
       -266.80135716 
       -266.78659617 
   
  
  
      15.17   15.17
      15.71   15.71
   
       -268.98014612 
       -268.95503889 
       -268.97177704 
   
  
  
      15.69   15.69
      16.29   16.29
   
       -265.79551898 
       -265.78533803 
       -265.79212533 
   
  
  
      16.94   16.94
      17.51   17.51
   
       -265.03604562 
       -265.04571820 
       -265.03926981 
   
  
  
      14.29   14.29
      14.88   14.88
   
       -265.04103553 
       -265.06595799 
       -265.04934302 
   
  
  
      16.04   16.04
      16.57   16.57
   
       -264.97110178 
       -264.98889319 
       -264.97703225 
   
  
  
      14.42   14.42
      14.96   14.96
   
       -264.97838859 
       -264.99962383 
       -264.98546701