vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 31 
  07:12:03 
 
 
  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      0.32000000      0.73000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      19.66310000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       1632.96160543 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.05085668       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.92938802       0.52767283       0.10664992 
           0.85057593       0.23313717       0.42812337 
           0.13532348       0.44799869       0.19643600 
           0.09294543       0.28382263       0.33437907 
           0.81812273       0.33214527       0.02695156 
           0.95700973       0.42131364       0.51810976 
           0.08212645       0.33338739       0.13719591 
           0.19931020       0.40599289       0.39048708 
           0.83266378       0.54524977       0.52337351 
           0.77208301       0.24342169       0.88180799 
           0.06247902       0.51016399       0.65304392 
           0.01508392       0.20546900       0.76052453 
           0.90218389       0.31021648       0.59357957 
           0.86375450       0.44288334       0.95508084 
           0.13922774       0.32338269       0.73696706 
           0.09829473       0.43438879       0.81919305 
           0.42174374       0.46142272       0.12206930 
           0.36471294       0.28961877       0.42152076 
           0.69039326       0.48215380       0.20799246 
           0.64299726       0.31302644       0.34143465 
           0.32697503       0.31734830       0.01116515 
           0.43382759       0.43813786       0.52104849 
           0.56306660       0.34802132       0.14275655 
           0.69256116       0.42898263       0.40145064 
           0.31884181       0.55559879       0.54998823 
           0.27443616       0.23147438       0.86540930 
           0.59869566       0.51648535       0.65504588 
           0.53812575       0.20860870       0.75271617 
           0.39677985       0.32881258       0.62285359 
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           0.66884315       0.32581422       0.72715298 
           0.63029406       0.43608323       0.81436024 
           0.65449626       0.70396812       0.62261345 
           0.66764814       0.71559023       0.56140902 
           0.45257474       0.58070888       0.66882936 
   
  
  
           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 
  
 
 
  
          2        1        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
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         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
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          0.50000000       0.00000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       605.39200000
         0.00001000
       38
       10
      104
       -1
       -1
       136.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -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
     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
       96
       54
       80
      192
      108
    F  
  
  
        0
       -1
        0
        2
         0.00000000
        -0.02000000
        0
         0.50000000
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         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      0.32000000      0.73000000
      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      1.00000000     16.00000000
         0.00000000      0.00000000      0.00000000
         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
        27.99362752
         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  
  
 
 
        35 
         3 
  
   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
    H    2
    H    2
    O    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      19.66310000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      1632.96160543 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.05085668       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.92938802       0.52767283       0.10664992 
          0.85057593       0.23313717       0.42812337 
          0.13532348       0.44799869       0.19643600 
          0.09294543       0.28382263       0.33437907 
          0.81812273       0.33214527       0.02695156 
          0.95700973       0.42131364       0.51810976 
          0.08212645       0.33338739       0.13719591 
          0.19931020       0.40599289       0.39048708 
          0.83266378       0.54524977       0.52337351 
          0.77208301       0.24342169       0.88180799 
          0.06247902       0.51016399       0.65304392 
          0.01508392       0.20546900       0.76052453 
          0.90218389       0.31021648       0.59357957 
          0.86375450       0.44288334       0.95508084 
          0.13922774       0.32338269       0.73696706 
          0.09829473       0.43438879       0.81919305 
          0.42174374       0.46142272       0.12206930 
          0.36471294       0.28961877       0.42152076 
          0.69039326       0.48215380       0.20799246 
          0.64299726       0.31302644       0.34143465 
          0.32697503       0.31734830       0.01116515 
          0.43382759       0.43813786       0.52104849 
          0.56306660       0.34802132       0.14275655 
          0.69256116       0.42898263       0.40145064 
          0.31884181       0.55559879       0.54998823 
          0.27443616       0.23147438       0.86540930 
          0.59869566       0.51648535       0.65504588 
          0.53812575       0.20860870       0.75271617 
          0.39677985       0.32881258       0.62285359 
          0.36787454       0.42616953       0.92017283 
          0.66884315       0.32581422       0.72715298 
          0.63029406       0.43608323       0.81436024 
          0.65449626       0.70396812       0.62261345 
          0.66764814       0.71559023       0.56140902 
          0.45257474       0.58070888       0.66882936 
  
 
 
  
      14.92   15.06
      15.67   15.81
   
         24.76344702 
       8985.96217391 
     -12265.73356957 
       -264.07603455 
       3167.08814863 
      -2605.71786812 
          0.00142377 
       -187.55012718 
       3755.32434067 
        610.06193458 
        610.06051081 
        610.06145999 
   
  
  
      18.36   18.36
      18.36   18.36
   
        -86.39120471 
        -86.36587504 
        -86.38276148 
   
  
  
      17.47   17.47
      17.47   17.47
   
       -162.13570534 
       -162.10975820 
       -162.12705629 
   
  
  
      18.20   18.20
      18.20   18.20
   
       -165.21709984 
       -165.18887502 
       -165.20769157 
   
  
  
      19.23   19.23
      19.35   19.35
   
       -165.36173403 
       -165.33340905 
       -165.35229237 
   
  
  
      15.53   15.53
      16.33   16.33
   
       -137.86659043 
       -137.85304263 
       -137.86207450 
   
  
  
      17.82   17.82
      18.64   18.64
   
       -991.20826020 
       -991.19167540 
       -991.20273193 
   
  
  
      17.08   17.08
      17.87   17.87
   
       -126.02290120 
       -126.00264693 
       -126.01614977 
   
  
  
      19.44   19.44
      20.26   20.26
   
       -140.26280789 
       -140.23211702 
       -140.25257760 
   
  
  
      15.97   15.97
      16.75   16.75
   
       -143.57868166 
       -143.56240836 
       -143.57325723 
   
  
  
      14.61   14.61
      15.40   15.40
   
       -154.78404188 
       -154.79606024 
       -154.78804800 
   
  
  
      19.31   19.31
      20.12   20.12
   
       -146.27055937 
       -146.28036923 
       -146.27382933 
   
  
  
      16.88   16.87
      17.71   17.71
   
       -153.86260124 
       -153.86751853 
       -153.86424034 
   
  
  
      15.83   15.83
      16.65   16.65
   
       -149.67147398 
       -149.66547011 
       -149.66947269 
   
  
  
      18.17   18.17
      18.97   18.98
   
       -163.11509152 
       -163.11825850 
       -163.11614718 
   
  
  
      16.39   16.39
      17.19   17.19
   
       -169.75070528 
       -169.77630572 
       -169.75923876 
   
  
  
      15.63   15.63
      16.46   16.46
   
       -180.26495351 
       -180.29220059 
       -180.27403587 
   
  
  
      16.08   16.08
      16.94   16.94
   
       -173.00691748 
       -173.03420674 
       -173.01601390 
   
  
  
      17.89   17.89
      18.71   18.71
   
       -208.00610744 
       -207.99143126 
       -208.00121538 
   
  
  
      15.92   15.92
      16.74   16.74
   
       -172.03125803 
       -172.05863779 
       -172.04038462 
   
  
  
      15.89   15.89
      16.71   16.71
   
       -172.57093104 
       -172.59816535 
       -172.58000914 
   
  
  
      16.86   16.86
      17.77   17.77
   
       -174.54999398 
       -174.57712065 
       -174.55903620 
   
  
  
      16.56   16.56
      17.44   17.44
   
       -176.56773715 
       -176.59468500 
       -176.57671976 
   
  
  
      15.59   15.59
      16.47   16.47
   
       -174.96437977 
       -174.99131159 
       -174.97335704 
   
  
  
      16.62   16.62
      17.52   17.52
   
       -173.89149513 
       -173.91840457 
       -173.90046494 
   
  
  
      16.32   16.32
      17.17   17.16
   
       -173.31747997 
       -173.34429625 
       -173.32641873 
   
  
  
      15.24   15.24
      16.05   16.05
   
       -172.78953839 
       -172.81623388 
       -172.79843689 
   
  
  
      14.67   14.67
      15.50   15.49
   
       -167.20666374 
       -167.23351739 
       -167.21561495 
   
  
  
      14.50   14.50
      15.38   15.38
   
       -174.92005001 
       -174.94682721 
       -174.92897574 
   
  
  
      13.83   13.83
      14.66   14.66
   
       -173.12279389 
       -173.14961435 
       -173.13173404 
   
  
  
      11.77   11.77
      12.61   12.61
   
       -169.07020280 
       -169.09702120 
       -169.07914226 
   
  
  
      10.67   10.67
      11.51   11.51
   
       -174.83541089 
       -174.86227331 
       -174.84436503 
   
  
  
      11.66   11.66
      12.51   12.51
   
       -175.86056822 
       -175.88739616 
       -175.86951086 
   
  
  
      12.87   12.87
      13.71   13.71
   
      -6519.16425207 
      -6519.13861882 
      -6519.15570765 
   
  
  
       6.92    6.92
       7.74    7.73
   
       -159.20128220 
       -159.19435461 
       -159.19897300 
   
  
  
       3.91    3.91
       4.75    4.75
   
      -5836.20149231 
      -5836.19235061 
      -5836.19844508