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 
    
   
   
           0.98497176       0.45682658       0.03221890 
           0.00134550       0.54470260       0.44094458 
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           0.98579351       0.30044055       0.04502580 
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           0.98579351       0.37694468       0.41863825 
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           0.98579351       0.30044055       0.54502580 
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           0.98579351       0.37694468       0.91863825 
           0.23579351       0.37694468       0.79519367 
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           0.50679837       0.52480537       0.41994564 
           0.74492683       0.45046899       0.16357418 
           0.77534923       0.51035140       0.32279479 
           0.48579351       0.22752319       0.41440866 
           0.73579351       0.22752319       0.29942326 
           0.48579351       0.30044055       0.04502580 
           0.73579351       0.30044055       0.16880612 
           0.48579351       0.37694468       0.41863825 
           0.73579351       0.37694468       0.29519367 
           0.48171095       0.45017131       0.55138513 
           0.47871668       0.53059172       0.93198758 
           0.73883291       0.45434377       0.66980030 
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           0.48579351       0.22752319       0.91440866 
           0.73579351       0.22752319       0.79942326 
           0.73579351       0.30044055       0.66880612 
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           0.73579351       0.37694468       0.79519367 
           0.23781613       0.64544926       0.73479877 
           0.60230972       0.61816334       0.60814491 
           0.22706430       0.58090927       0.72095607 
           0.51554589       0.58110547       0.50014741 
           0.44477859       0.66797530       0.65688109 
           0.60087510       0.78009184       0.81903554 
           0.50512506       0.70073483       0.71144431 
           0.41043938       0.68782307       0.56591817 
           0.24326493       0.66231730       0.86509306 
           0.77493746       0.64007789       0.56427883 
           0.07875555       0.66830073       0.67766727 
           0.66974056       0.58250294       0.71581845 
           0.69160823       0.81098308       0.82428208 
           0.64750085       0.73745399       0.84877773 
           0.55011164       0.77602869       0.72034484 
           0.48308559       0.78584129       0.88511162 
   
  
  
           1 
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           5 
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           7 
           8 
           9 
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          11 
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          25 
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          28 
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          30 
          31 
          32 
          33 
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          40 
          41 
          42 
          43 
          44 
          45 
          46 
          47 
          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 
          0.33333333       0.00000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          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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         0.00200000
        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
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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
       -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  
  
 
 
        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 
   
  
  
          0.98497176       0.45682658       0.03221890 
          0.00134550       0.54470260       0.44094458 
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          0.23579351       0.37694468       0.29519367 
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          0.98080400       0.54376985       0.94831931 
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          0.23579351       0.22752319       0.79942326 
          0.98579351       0.30044055       0.54502580 
          0.23579351       0.30044055       0.66880612 
          0.98579351       0.37694468       0.91863825 
          0.23579351       0.37694468       0.79519367 
          0.48721171       0.45375179       0.04775109 
          0.50679837       0.52480537       0.41994564 
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          0.77534923       0.51035140       0.32279479 
          0.48579351       0.22752319       0.41440866 
          0.73579351       0.22752319       0.29942326 
          0.48579351       0.30044055       0.04502580 
          0.73579351       0.30044055       0.16880612 
          0.48579351       0.37694468       0.41863825 
          0.73579351       0.37694468       0.29519367 
          0.48171095       0.45017131       0.55138513 
          0.47871668       0.53059172       0.93198758 
          0.73883291       0.45434377       0.66980030 
          0.73968097       0.52059712       0.82412170 
          0.48579351       0.22752319       0.91440866 
          0.73579351       0.22752319       0.79942326 
          0.73579351       0.30044055       0.66880612 
          0.48579351       0.37694468       0.91863825 
          0.73579351       0.37694468       0.79519367 
          0.23781613       0.64544926       0.73479877 
          0.60230972       0.61816334       0.60814491 
          0.22706430       0.58090927       0.72095607 
          0.51554589       0.58110547       0.50014741 
          0.44477859       0.66797530       0.65688109 
          0.60087510       0.78009184       0.81903554 
          0.50512506       0.70073483       0.71144431 
          0.41043938       0.68782307       0.56591817 
          0.24326493       0.66231730       0.86509306 
          0.77493746       0.64007789       0.56427883 
          0.07875555       0.66830073       0.67766727 
          0.66974056       0.58250294       0.71581845 
          0.69160823       0.81098308       0.82428208 
          0.64750085       0.73745399       0.84877773 
          0.55011164       0.77602869       0.72034484 
          0.48308559       0.78584129       0.88511162 
  
  
     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 
  
 
 
  
      12.86   13.02
      13.28   13.45
   
         40.50514279 
      16973.78267866 
     -21706.74798796 
       -275.34833691 
       4456.43530550 
      -3757.52896329 
         -0.00049125 
       -244.04308855 
       5406.19701560 
        893.25127459 
        893.25176584 
        893.25143834 
   
  
  
      15.99   15.99
      15.99   15.99
   
       -146.50986887 
       -146.49642996 
       -146.50538923 
   
  
  
      16.00   16.00
      16.01   16.00
   
       -277.97000604 
       -278.01244880 
       -277.98415363 
   
  
  
      16.13   16.13
      16.13   16.13
   
       -283.23292706 
       -283.27889430 
       -283.24824947 
   
  
  
      16.91   16.91
      17.10   17.09
   
       -283.38488949 
       -283.43080368 
       -283.40019422 
   
  
  
      15.01   15.01
      15.58   15.58
   
       -270.78945685 
       -270.81602873 
       -270.79831414 
   
  
  
      14.77   14.76
      15.30   15.30
   
       -272.27043290 
       -272.25486366 
       -272.26524315 
   
  
  
      15.33   15.33
      15.88   15.87
   
       -269.46768951 
       -269.45648230 
       -269.46395377 
   
  
  
      17.02   17.02
      17.54   17.54
   
       -268.78892983 
       -268.79689271 
       -268.79158412 
   
  
  
      14.35   14.34
      14.90   14.90
   
       -268.80827138 
       -268.83854313 
       -268.81836196 
   
  
  
      15.87   15.86
      16.43   16.43
   
       -268.73490290 
       -268.75562389 
       -268.74180990 
   
  
  
      14.21   14.20
      14.77   14.77
   
       -268.74999910 
       -268.77293447 
       -268.75764423 
   
  
  
      16.02   16.02
      16.57   16.57
   
       -268.74084470 
       -268.76069282 
       -268.74746074