vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 04 
  19:26:57 
 
 
  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      0.73000000      0.32000000
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      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      0.00000000      0.10700000
  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 
    
   
   
           0.44204544       0.61494800       0.94641077 
           0.78203287       0.20917909       0.25582447 
           0.40199356       0.63665740       0.76459551 
           0.40967359       0.88989517       0.23719399 
           0.33726960       0.28522576       0.41200318 
           0.42600656       0.52561775       0.42921138 
           0.40348286       0.13879310       0.90017614 
           0.74835804       0.93858843       0.98996650 
           0.80677989       0.10884703       0.43662563 
           0.64158457       0.11276461       0.64241416 
           0.69961407       0.73152285       0.03177469 
           0.94975302       0.85915612       0.13926808 
           0.55849869       0.33431710       0.40033428 
           0.74932459       0.35347558       0.36865989 
           0.89519461       0.01891992       0.19441238 
           0.52972826       0.06550135       0.04129414 
           0.38352201       0.55969552       0.34791150 
           0.47845707       0.27911191       0.19143015 
           0.62441708       0.93277302       0.08713977 
           0.97889454       0.59663602       0.27603162 
           0.97603757       0.06473131       0.81492245 
           0.41461189       0.71096655       0.63424753 
           0.80846135       0.84084053       0.49906593 
           0.34836641       0.26377125       0.59182786 
           0.11429874       0.71382037       0.34735761 
           0.36131040       0.44171315       0.78159495 
           0.83606302       0.73642580       0.86754862 
           0.73040519       0.33549280       0.66719486 
           0.25103743       0.46087746       0.42153468 
           0.40139810       0.00220577       0.87521559 
           0.03396893       0.05058622       0.79069422 
           0.42981981       0.14876479       0.92164933 
           0.89480372       0.52167757       0.00424381 
           0.16706046       0.19490606       0.26518371 
           0.88959677       0.45473323       0.25690829 
   
  
  
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           5 
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          11 
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          21 
          22 
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          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
  
 
 
  
          3        2        2 
         0.00000000       0.00000000       0.00000000 
         0.33333333       0.00000000       0.00000000 
         0.00000000       0.50000000       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       0.50000000       0.00000000 
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          0.33333333       0.00000000       0.50000000 
          0.00000000       0.50000000       0.50000000 
          0.33333333       0.50000000       0.50000000 
  
  
          0.08333333 
          0.16666667 
          0.08333333 
          0.16666667 
          0.08333333 
          0.16666667 
          0.08333333 
          0.16666667 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       605.39200000
         0.00001000
       38
       10
       88
       -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  
          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      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
         -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
   
  
  
       40
       96
       54
       80
      192
      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      0.32000000
      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
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000      1.00000000
         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
         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  
  
 
 
        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
    O    2
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           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 
   
  
  
          0.44204544       0.61494800       0.94641077 
          0.78203287       0.20917909       0.25582447 
          0.40199356       0.63665740       0.76459551 
          0.40967359       0.88989517       0.23719399 
          0.33726960       0.28522576       0.41200318 
          0.42600656       0.52561775       0.42921138 
          0.40348286       0.13879310       0.90017614 
          0.74835804       0.93858843       0.98996650 
          0.80677989       0.10884703       0.43662563 
          0.64158457       0.11276461       0.64241416 
          0.69961407       0.73152285       0.03177469 
          0.94975302       0.85915612       0.13926808 
          0.55849869       0.33431710       0.40033428 
          0.74932459       0.35347558       0.36865989 
          0.89519461       0.01891992       0.19441238 
          0.52972826       0.06550135       0.04129414 
          0.38352201       0.55969552       0.34791150 
          0.47845707       0.27911191       0.19143015 
          0.62441708       0.93277302       0.08713977 
          0.97889454       0.59663602       0.27603162 
          0.97603757       0.06473131       0.81492245 
          0.41461189       0.71096655       0.63424753 
          0.80846135       0.84084053       0.49906593 
          0.34836641       0.26377125       0.59182786 
          0.11429874       0.71382037       0.34735761 
          0.36131040       0.44171315       0.78159495 
          0.83606302       0.73642580       0.86754862 
          0.73040519       0.33549280       0.66719486 
          0.25103743       0.46087746       0.42153468 
          0.40139810       0.00220577       0.87521559 
          0.03396893       0.05058622       0.79069422 
          0.42981981       0.14876479       0.92164933 
          0.89480372       0.52167757       0.00424381 
          0.16706046       0.19490606       0.26518371 
          0.88959677       0.45473323       0.25690829 
  
 
 
  
      11.84   11.94
      12.33   12.44
   
         24.76344702 
      -1107.04101221 
      -1543.13628423 
       -299.98465039 
       3170.77583059 
      -2609.60722799 
         -0.00184824 
       -158.41089142 
       3755.32434067 
       1232.68170381 
       1232.68355205 
       1232.68231989 
   
  
  
      14.82   14.93
      14.82   14.94
   
        645.12790032 
        645.11164207 
        645.12248090 
   
  
  
      17.78   17.89
      17.78   17.89
   
        526.93496860 
        526.90986733 
        526.92660151 
   
  
  
      17.80   17.92
      17.80   17.92
   
        504.19474264 
        504.23052838 
        504.20667122 
   
  
  
      15.23   15.34
      15.40   15.52
   
        502.15269070 
        502.19576239 
        502.16704793 
   
  
  
      16.79   16.90
      17.41   17.52
   
        476.80871445 
        476.79059428 
        476.80267439 
   
  
  
      17.22   17.34
      17.84   17.96
   
        527.87351551 
        527.88744565 
        527.87815889 
   
  
  
      17.02   17.12
      17.66   17.76
   
        523.93082511 
        523.92451871 
        523.92872298 
   
  
  
      15.19   15.31
      15.81   15.93
   
        514.58169623 
        514.59141199 
        514.58493482 
   
  
  
      16.52   16.63
      17.14   17.26
   
        503.74681367 
        503.76366759 
        503.75243164 
   
  
  
      15.95   16.08
      16.59   16.73
   
        559.58092864 
        559.64637099 
        559.60274276 
   
  
  
      15.30   15.41
      15.94   16.05
   
        551.00595678 
        550.98228198 
        550.99806518 
   
  
  
      16.11   16.23
      16.75   16.88
   
        537.21025059 
        537.22474477 
        537.21508198 
   
  
  
      15.84   15.94
      16.47   16.58
   
        544.53773498 
        544.55488818 
        544.54345272 
   
  
  
      15.75   15.86
      16.36   16.47
   
        541.59644619 
        541.61591860 
        541.60293699 
   
  
  
      15.60   15.73
      16.24   16.37
   
        529.83581989 
        529.79890159 
        529.82351379 
   
  
  
      14.71   14.82
      15.36   15.47
   
        537.80993446 
        537.76958513 
        537.79648469 
   
  
  
      16.09   16.22
      16.72   16.86
   
        535.09154409 
        535.06390889 
        535.08233236 
   
  
  
      15.37   15.49
      16.01   16.13
   
        549.42536669 
        549.42526029 
        549.42533122 
   
  
  
      13.94   14.07
      14.58   14.71
   
        552.96983983 
        553.00288409 
        552.98085458 
   
  
  
      15.06   15.18
      15.70   15.83
   
        552.86665705 
        552.90132226 
        552.87821212 
   
  
  
      13.86   13.98
      14.51   14.63
   
        551.25889116 
        551.28068329 
        551.26615520 
   
  
  
      12.96   13.07
      13.60   13.72
   
        553.00200920 
        553.05595214 
        553.01999018 
   
  
  
      13.67   13.80
      14.32   14.45
   
        545.84803238 
        545.84022537 
        545.84543004 
   
  
  
      14.25   14.36
      14.89   15.00
   
        545.30475604 
        545.28606636 
        545.29852614 
   
  
  
      15.31   15.42
      15.95   16.06
   
        548.93061408 
        548.92477301 
        548.92866705 
   
  
  
      14.90   15.03
      15.55   15.68
   
        554.43190084 
        554.43026403 
        554.43135524 
   
  
  
      14.10   14.20
      14.74   14.84
   
        552.19495674 
        552.18523815 
        552.19171721 
   
  
  
      15.61   15.74
      16.26   16.40
   
        554.25386443 
        554.24088375 
        554.24953754 
   
  
  
      16.72   16.87
      17.37   17.53
   
        555.13190942 
        555.11629489 
        555.12670458 
   
  
  
      14.45   14.58
      15.10   15.24
   
        553.00344261 
        552.98889486 
        552.99859336 
   
  
  
      14.09   14.22
      14.76   14.89
   
        554.02620000 
        554.02287068 
        554.02509023 
   
  
  
      13.98   14.13
      14.63   14.79
   
        556.13459620 
        556.12904298 
        556.13274513 
   
  
  
      14.59   14.72
      15.26   15.39
   
        558.44979946 
        558.43732838 
        558.44564243 
   
  
  
      15.23   15.36
      15.90   16.02
   
        560.51711209 
        560.51234811 
        560.51552410 
   
  
  
      14.84   14.95
      15.51   15.62
   
        558.39607526 
        558.39445773 
        558.39553608 
   
  
  
      15.07   15.18
      15.75   15.86
   
        559.27065266 
        559.26945833 
        559.27025455 
   
  
  
      15.20   15.34
      15.88   16.01
   
        559.77112011 
        559.76992336 
        559.77072119 
   
  
  
      14.59   14.71
      15.26   15.39
   
        561.30408237 
        561.30220318 
        561.30345597 
   
  
  
      14.19   14.30
      14.86   14.98
   
        560.83488344 
        560.83380627 
        560.83452438