vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 01 09 
  10:15:40 
 
 
  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      0.73000000      0.77000000      0.32000000      0.72000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      25.32620000       0.00000000 
            0.00000000       0.00000000       5.41863000 
    
       1051.63255568 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.03948480       0.00000000 
            0.00000000       0.00000000       0.18454849 
    
   
   
           0.25344691       0.25828594       0.38327287 
           0.37807064       0.31135351       0.02350480 
           0.53674890       0.27280436       0.52560337 
           0.61401806       0.35197735       0.74803971 
           0.78516270       0.45815988       0.51470519 
           0.91428840       0.49094184       0.96736056 
           0.40267966       0.43526088       0.50750037 
           0.74421813       0.55214617       0.25308549 
           0.37423225       0.32165276       0.55649753 
           0.09973352       0.23370727       0.98985396 
           0.77694937       0.46686582       0.57990893 
           0.32871266       0.23417575       0.86316806 
           0.78066919       0.26741578       0.23433367 
           0.83741282       0.37294037       0.11165855 
           0.92164419       0.27119144       0.53284503 
           0.06881973       0.36887929       0.88359529 
           0.71926937       0.59073934       0.45476049 
           0.26566298       0.54209326       0.78893526 
           0.26936054       0.38925544       0.18422486 
           0.39010990       0.50250124       0.17519443 
           0.14374946       0.39217470       0.49346731 
           0.58831135       0.19648591       0.00003566 
           0.22489434       0.48734392       0.90439779 
           0.84687155       0.22332898       0.92591422 
           0.39686904       0.75076177       0.76265686 
           0.85471089       0.50742422       0.88976858 
           0.07736319       0.62763822       0.63272070 
           0.12510703       0.64046261       0.93716091 
           0.10221955       0.18798627       0.38588993 
           0.34407043       0.15309675       0.75755630 
           0.58490812       0.16313643       0.42657561 
           0.87044447       0.16037253       0.76818550 
           0.56176366       0.51091002       0.33899734 
           0.70570466       0.78299175       0.91006232 
           0.96326882       0.24598238       0.51777573 
           0.17433191       0.16519513       0.68007913 
           0.41203309       0.17831114       0.40153856 
           0.69827451       0.15741428       0.74748805 
           0.26165239       0.89757901       0.94661423 
           0.13403540       0.49855231       0.96779383 
           0.77981045       0.90583844       0.22134489 
           0.74498385       0.46959708       0.31292323 
           0.11774597       0.56654870       0.17051538 
           0.81321481       0.72595555       0.57115617 
   
  
  
           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 
          40 
          41 
          42 
          43 
          44 
  
 
 
  
          2        1        3 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       1.00000000       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 
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          0.50000000       0.00000000       0.33333333 
  
  
          0.16666667 
          0.16666667 
          0.33333333 
          0.33333333 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
      108
       -1
       -1
       168.00000000
        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
      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
           0.00000002
           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
       28
       80
      252
       56
    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      0.72000000
      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     12.01100000      1.00000000     18.99800000
         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
        14.34044394
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
        -1.00000000
         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
      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  
  
 
 
        44 
         5 
  
   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
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    C    3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    F    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      25Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       8O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       1C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       9H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1F      18.99800000      7.00000000  PAW_PBE F 08Apr2002                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      25.32620000       0.00000000 
           0.00000000       0.00000000       5.41863000 
   
      1051.63255568 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.03948480       0.00000000 
           0.00000000       0.00000000       0.18454849 
   
  
  
          0.25344691       0.25828594       0.38327287 
          0.37807064       0.31135351       0.02350480 
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          0.61401806       0.35197735       0.74803971 
          0.78516270       0.45815988       0.51470519 
          0.91428840       0.49094184       0.96736056 
          0.40267966       0.43526088       0.50750037 
          0.74421813       0.55214617       0.25308549 
          0.37423225       0.32165276       0.55649753 
          0.09973352       0.23370727       0.98985396 
          0.77694937       0.46686582       0.57990893 
          0.32871266       0.23417575       0.86316806 
          0.78066919       0.26741578       0.23433367 
          0.83741282       0.37294037       0.11165855 
          0.92164419       0.27119144       0.53284503 
          0.06881973       0.36887929       0.88359529 
          0.71926937       0.59073934       0.45476049 
          0.26566298       0.54209326       0.78893526 
          0.26936054       0.38925544       0.18422486 
          0.39010990       0.50250124       0.17519443 
          0.14374946       0.39217470       0.49346731 
          0.58831135       0.19648591       0.00003566 
          0.22489434       0.48734392       0.90439779 
          0.84687155       0.22332898       0.92591422 
          0.39686904       0.75076177       0.76265686 
          0.85471089       0.50742422       0.88976858 
          0.07736319       0.62763822       0.63272070 
          0.12510703       0.64046261       0.93716091 
          0.10221955       0.18798627       0.38588993 
          0.34407043       0.15309675       0.75755630 
          0.58490812       0.16313643       0.42657561 
          0.87044447       0.16037253       0.76818550 
          0.56176366       0.51091002       0.33899734 
          0.70570466       0.78299175       0.91006232 
          0.96326882       0.24598238       0.51777573 
          0.17433191       0.16519513       0.68007913 
          0.41203309       0.17831114       0.40153856 
          0.69827451       0.15741428       0.74748805 
          0.26165239       0.89757901       0.94661423 
          0.13403540       0.49855231       0.96779383 
          0.77981045       0.90583844       0.22134489 
          0.74498385       0.46959708       0.31292323 
          0.11774597       0.56654870       0.17051538 
          0.81321481       0.72595555       0.57115617 
  
 
 
  
   
   
   
         74.00007382 
      13448.33906318 
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       5642.42690935 
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       1479.50574379 
       1479.51677341 
   
  
  
   
   
   
        429.77301585 
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        429.78614658 
   
  
  
   
   
   
        257.94649555 
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        246.08385896 
        246.06825636 
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        245.65759934 
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        239.06353252 
        239.04112108 
        239.05606204 
   
  
  
   
   
   
         89.76144330 
         89.75103046 
         89.75797235 
   
  
  
   
   
   
        139.21182919 
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        277.99395357 
        278.00816470 
        277.99869062 
   
  
  
   
   
   
        304.68702387 
        304.69456655 
        304.68953810 
   
  
  
   
   
   
        302.35569913 
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        302.35674068 
   
  
  
   
   
   
        297.66147103 
        297.67228078 
        297.66507428 
   
  
  
   
   
   
        296.25606813 
        296.26165741 
        296.25793122 
   
  
  
   
   
   
        293.21712326 
        293.20997586 
        293.21474080 
   
  
  
   
   
   
        293.61600208 
        293.61370688 
        293.61523701 
   
  
  
   
   
   
        286.86231099 
        286.85757143 
        286.86073113 
   
  
  
   
   
   
        261.22122580 
        261.18625521 
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        267.33938017 
        267.33863537 
        267.33913190 
   
  
  
   
   
   
        286.10491876 
        286.11603204 
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        270.80589598 
   
  
  
   
   
   
        224.62029869 
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        244.52590925 
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        241.25707082 
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        236.34135815 
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        241.78072569 
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        241.78883274 
   
  
  
   
   
   
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         84.50241910 
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