vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 31 
  08:33:37 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
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       1
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  Auto
       1
        0.20000000
       1
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   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      19.66310000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       1632.96160543 
    
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           0.81791301       0.33283406       0.02650260 
           0.95761442       0.42138758       0.51885188 
           0.08184334       0.33316444       0.13721708 
           0.19897316       0.40691136       0.39057207 
           0.83246474       0.54500527       0.52109617 
           0.77167179       0.24360483       0.88234957 
           0.06186704       0.51056706       0.65295000 
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           0.90168819       0.31015846       0.59305030 
           0.86381569       0.44365758       0.95525748 
           0.13811724       0.32323229       0.73683739 
           0.09792392       0.43453687       0.81896248 
           0.42226320       0.46098540       0.12195725 
           0.36387737       0.29129470       0.42116742 
           0.68976062       0.48338796       0.20819271 
           0.64287858       0.31260704       0.34083829 
           0.32625017       0.31700596       0.01085191 
           0.43390060       0.43821587       0.52069725 
           0.56205777       0.34653050       0.14192562 
           0.69313389       0.42925138       0.40070368 
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           0.45296029       0.57932784       0.67229179 
   
  
  
           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 
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          0.25000000 
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   No title
    F  
  
  
   normal
       400.00000000
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         0.00001000
       38
       10
      105
       -1
       -1
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        0
        0
        0
        0
         0.00000000
   
         1
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          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
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     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
       200
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
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          4
           0.40000000
    
   
   
          0.40000000
          1.00000000
          0.10000000
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          4
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        -45
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          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
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       40
       96
       54
       80
      192
      108
    F  
  
  
        0
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         0.00010000
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        1
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        2
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        0
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      301
        10.00000000
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        1
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    F  
    F  
    F  
    F  
    F  
    F  
    F  
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
        3
        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
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         1.00000000
         1.00000000
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        1
        1
        1
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    F  
        0
        0
    F  
         0.00000000
         0.00000000
        0
  
  
    F  
        -0.84910000
         0.12340000
         1.00000000
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        0
        27.99362752
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
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         0.00200000
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         0.00000000
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    F  
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    T  
    F  
    F  
    F  
    T  
        0
         0.00000000      0.00000000      0.00000000
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    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
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        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 
   
  
  
          0.93039125       0.52773701       0.10796048 
          0.85063310       0.23284866       0.42794359 
          0.13606295       0.44781878       0.19612344 
          0.09348996       0.28285885       0.33372630 
          0.81791301       0.33283406       0.02650260 
          0.95761442       0.42138758       0.51885188 
          0.08184334       0.33316444       0.13721708 
          0.19897316       0.40691136       0.39057207 
          0.83246474       0.54500527       0.52109617 
          0.77167179       0.24360483       0.88234957 
          0.06186704       0.51056706       0.65295000 
          0.01430560       0.20529583       0.76127672 
          0.90168819       0.31015846       0.59305030 
          0.86381569       0.44365758       0.95525748 
          0.13811724       0.32323229       0.73683739 
          0.09792392       0.43453687       0.81896248 
          0.42226320       0.46098540       0.12195725 
          0.36387737       0.29129470       0.42116742 
          0.68976062       0.48338796       0.20819271 
          0.64287858       0.31260704       0.34083829 
          0.32625017       0.31700596       0.01085191 
          0.43390060       0.43821587       0.52069725 
          0.56205777       0.34653050       0.14192562 
          0.69313389       0.42925138       0.40070368 
          0.31943546       0.55628253       0.55180549 
          0.27459972       0.23111605       0.86510793 
          0.59929526       0.51618305       0.65408382 
          0.53835113       0.20893098       0.75165096 
          0.39696226       0.32811258       0.62371325 
          0.36804110       0.42620922       0.92008570 
          0.66988019       0.32602870       0.72771702 
          0.63083197       0.43619501       0.81436610 
          0.65304551       0.70346088       0.62366477 
          0.66915980       0.71592755       0.56039374 
          0.45296029       0.57932784       0.67229179 
  
 
 
  
      12.43   12.46
      13.91   13.94
   
         24.76344702 
       8980.24711210 
     -12260.91531649 
       -264.14655339 
       3167.08814863 
      -2605.71786812 
         -0.00679966 
       -197.43783473 
       3755.32434067 
        599.19867604 
        599.20547570 
        599.20094259 
   
  
  
      15.56   15.58
      15.56   15.58
   
        -89.12100541 
        -89.11727496 
        -89.11976193 
   
  
  
      14.80   14.81
      14.80   14.81
   
       -162.51666585 
       -162.49239604 
       -162.50857591 
   
  
  
      15.29   15.33
      15.29   15.33
   
       -165.50481238 
       -165.47897101 
       -165.49619859 
   
  
  
      16.13   16.18
      16.30   16.35
   
       -165.65175901 
       -165.62588653 
       -165.64313485 
   
  
  
      14.56   14.61
      16.00   16.04
   
      -3418.67721806 
      -3418.65072855 
      -3418.66838822 
   
  
  
      14.06   14.10
      15.03   15.07
   
       -119.70452291 
       -119.69849433 
       -119.70251338 
   
  
  
      15.28   15.32
      16.16   16.20
   
       -135.83646775 
       -135.84971816 
       -135.84088456 
   
  
  
      14.43   14.49
      15.36   15.41
   
       -142.33625079 
       -142.30205026 
       -142.32485062 
   
  
  
      14.84   14.90
      15.75   15.81
   
       -146.00320772 
       -145.97491370 
       -145.99377638 
   
  
  
      13.91   13.97
      14.80   14.86
   
       -150.44991216 
       -150.43314973 
       -150.44432468 
   
  
  
      13.67   13.71
      14.58   14.62
   
       -154.18890696 
       -154.19504700 
       -154.19095364 
   
  
  
      13.74   13.81
      14.66   14.73
   
       -157.72981901 
       -157.73036873 
       -157.73000225 
   
  
  
      14.35   14.43
      15.24   15.32
   
       -162.00824846 
       -162.01340380 
       -162.00996691 
   
  
  
      13.99   14.06
      14.89   14.95
   
       -177.68389823 
       -177.71197917 
       -177.69325854 
   
  
  
      15.50   15.55
      16.37   16.41
   
       -213.61514642 
       -213.63794794 
       -213.62274693 
   
  
  
      12.68   12.72
      13.56   13.61
   
       -166.52992107 
       -166.55767766 
       -166.53917327 
   
  
  
      15.57   15.60
      16.47   16.50
   
      -1607.06711636 
      -1607.04642745 
      -1607.06022006 
   
  
  
      12.91   12.98
      13.81   13.88
   
       -164.64995170 
       -164.67528755 
       -164.65839698 
   
  
  
      14.07   14.11
      14.98   15.02
   
       -171.62997349 
       -171.65508938 
       -171.63834545 
   
  
  
      14.30   14.35
      15.22   15.26
   
       -174.02358860 
       -174.04885330 
       -174.03201017 
   
  
  
      14.49   14.54
      15.39   15.43
   
       -179.71164243 
       -179.73751730 
       -179.72026739 
   
  
  
      17.19   17.24
      18.08   18.13
   
     -18515.19755733 
     -18515.17676296 
     -18515.19062588 
   
  
  
      13.16   13.20
      14.08   14.12
   
       -140.76050361 
       -140.75333729 
       -140.75811484 
   
  
  
      14.61   14.65
      15.55   15.59
   
       -174.28147325 
       -174.31441743 
       -174.29245464 
   
  
  
      13.88   13.94
      14.78   14.84
   
       -601.54659218 
       -601.53330198 
       -601.54216211 
   
  
  
      14.39   14.42
      15.35   15.38
   
       -176.48683119 
       -176.44860924 
       -176.47409054 
   
  
  
      12.87   12.92
      14.01   14.06
   
       -169.04953763 
       -169.02801624 
       -169.04236384 
   
  
  
      11.24   11.31
      12.85   12.92
   
       -174.59416389 
       -174.61861519 
       -174.60231432 
   
  
  
       9.54    9.57
      10.49   10.52
   
       -176.02376580 
       -176.04877151 
       -176.03210104 
   
  
  
       8.99    9.04
      10.06   10.11
   
       -176.27009800 
       -176.29536218 
       -176.27851939 
   
  
  
       7.64    7.70
       8.59    8.64
   
       -221.45234540 
       -221.41380258 
       -221.43949779 
   
  
  
       8.93    8.96
       9.83    9.86
   
      -1524.51633196 
      -1524.49283887 
      -1524.50850093 
   
  
  
       6.46    6.51
       7.51    7.56
   
       -166.75134848 
       -166.75702478 
       -166.75324058 
   
  
  
       4.26    4.29
       5.40    5.43
   
       -173.03028675 
       -173.05511012 
       -173.03856121 
   
  
  
       3.47    3.51
       4.41    4.45
   
       -177.94634752 
       -177.89589749 
       -177.92953084 
   
  
  
       4.51    4.56
       5.25    5.30
   
       -172.27287122 
       -172.25088751 
       -172.26554331 
   
  
  
       4.55    4.57
       5.32    5.35
   
       -173.59295368 
       -173.62253503 
       -173.60281413 
   
  
  
       3.55    3.57
       4.33    4.35
   
       -174.49931374 
       -174.52452547 
       -174.50771765 
   
  
  
       4.14    4.18
       4.92    4.95
   
       -174.00233939 
       -174.02774862 
       -174.01080913 
   
  
  
       3.59    3.62
       4.36    4.39
   
       -168.66970711 
       -168.69519540 
       -168.67820321 
   
  
  
       3.68    3.75
       4.45    4.51
   
       -174.63561662 
       -174.66104359 
       -174.64409228 
   
  
  
       4.18    4.20
       4.95    4.97
   
       -174.89236438 
       -174.91772606 
       -174.90081828 
   
  
  
       3.97    4.01
       4.79    4.82
   
       -167.67142875 
       -167.70042577 
       -167.68109442 
   
  
  
       4.45    4.48
       5.29    5.33
   
       -167.59739150 
       -167.63012153 
       -167.60830151 
   
  
  
       4.34    4.37
       5.15    5.19
   
       -167.61210196 
       -167.64496812 
       -167.62305735 
   
  
  
       3.94    3.97
       4.78    4.81
   
       -167.61967574 
       -167.65030803 
       -167.62988650 
   
  
  
       4.21    4.26
       5.04    5.09
   
       -174.42822811 
       -174.45366585 
       -174.43670736 
   
  
  
       3.92    3.95
       4.72    4.75
   
       -174.85940803 
       -174.88493383 
       -174.86791663 
   
  
  
       3.85    3.90
       4.65    4.70
   
       -175.70085663 
       -175.72633606 
       -175.70934977 
   
  
  
       3.71    3.74
       4.50    4.53
   
       -174.28080665 
       -174.30615577 
       -174.28925636 
   
  
  
       4.05    4.08
       4.87    4.90
   
       -175.18256427 
       -175.20796379 
       -175.19103078 
   
  
  
       4.20    4.24
       5.03    5.06
   
       -176.38741896 
       -176.41291597 
       -176.39591796 
   
  
  
       3.95    3.99
       4.78    4.82
   
       -174.99339930 
       -175.01890717 
       -175.00190193 
   
  
  
       4.23    4.28
       5.10    5.15
   
       -170.29110730 
       -170.31674061 
       -170.29965174 
   
  
  
       4.13    4.18
       4.98    5.02
   
       -174.61826777 
       -174.64388974 
       -174.62680843 
   
  
  
       3.86    3.89
       4.71    4.74
   
       -174.61005146 
       -174.63567630 
       -174.61859308 
   
  
  
       4.25    4.29
       5.05    5.10
   
       -174.67065349 
       -174.69626634 
       -174.67919111 
   
  
  
       4.13    4.16
       4.97    5.00
   
       -174.69909113 
       -174.72468757 
       -174.70762328 
   
  
  
       4.20    4.23
       5.00    5.03
   
       -174.74857769 
       -174.77414609 
       -174.75710049 
   
  
  
       5.06    5.08
       5.83    5.86
   
     -29266.05254423 
     -29266.06277133 
     -29266.05595326 
   
  
  
       3.83    3.86
       4.64    4.67
   
       -138.77026034 
       -138.76497566 
       -138.76849878 
   
  
  
       4.13    4.16
       4.91    4.94
   
       -170.74923051 
       -170.74544862 
       -170.74796988 
   
  
  
       3.69    3.74
       4.49    4.54
   
       -173.60914383 
       -173.63314121 
       -173.61714296 
   
  
  
       3.93    3.97
       4.73    4.76
   
       -174.86622765 
       -174.89134752 
       -174.87460094 
   
  
  
       3.78    3.82
       4.57    4.60
   
       -176.36046892 
       -176.38575926 
       -176.36889903