vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 14 
  23:16:37 
 
 
  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      0.99000000      0.32000000      0.72000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.76984868       0.00000000       0.00000000 
            0.13032753      24.44030431       0.00000000 
            0.04503821      -0.11094984      10.84033246 
    
       2058.55166672 
    
            0.12870264      -0.00068630      -0.00054174 
            0.00000000       0.04091602       0.00041877 
            0.00000000       0.00000000       0.09224809 
    
   
   
           0.01513641       0.46570447       0.07496230 
           0.99285493       0.54834267       0.43975504 
           0.26297319       0.46514719       0.19565031 
           0.24140161       0.54637099       0.31382832 
           0.00003232       0.23722116       0.43244797 
           0.25003232       0.23722116       0.31746257 
           0.00003232       0.31013852       0.06306511 
           0.25003232       0.31013852       0.18684543 
           0.00003232       0.38664265       0.43667756 
           0.25003232       0.38664265       0.31323298 
           0.00164360       0.46764330       0.55994584 
           0.00543967       0.54996522       0.95494067 
           0.24670805       0.46974243       0.69548377 
           0.24545187       0.55201707       0.82581015 
           0.25003232       0.23722116       0.81746257 
           0.00003232       0.31013852       0.56306511 
           0.25003232       0.31013852       0.68684543 
           0.00003232       0.38664265       0.93667756 
           0.25003232       0.38664265       0.81323298 
           0.50855567       0.46698414       0.06315747 
           0.49482377       0.54933938       0.43194613 
           0.75410364       0.46482859       0.19404555 
           0.74806048       0.54542228       0.31203267 
           0.50003232       0.23722116       0.43244797 
           0.75003232       0.23722116       0.31746257 
           0.50003232       0.31013852       0.06306511 
           0.75003232       0.31013852       0.18684543 
           0.50003232       0.38664265       0.43667756 
           0.75003232       0.38664265       0.31323298 
           0.49410156       0.46812057       0.56197757 
           0.48190093       0.55309941       0.95833180 
           0.74936185       0.46725356       0.68146063 
           0.74318012       0.53435452       0.84807651 
           0.50003232       0.23722116       0.93244797 
           0.75003232       0.23722116       0.81746257 
           0.75003232       0.31013852       0.68684543 
           0.50003232       0.38664265       0.93667756 
           0.75003232       0.38664265       0.81323298 
           0.25804720       0.67538519       0.74145150 
           0.48067003       0.67528297       0.50761226 
           0.24810475       0.60906649       0.74824555 
           0.50283307       0.60872536       0.50586432 
           0.99211949       0.60146129       0.53679065 
           0.24770727       0.60012163       0.21740370 
           0.00429307       0.60488770       0.04984304 
           0.75624219       0.60008895       0.21703646 
           0.49675307       0.60600791       0.05695757 
           0.71758482       0.47608010       0.93631913 
           0.32092051       0.68323225       0.60178661 
           0.00218611       0.18028413       0.52856477 
           0.25574254       0.17724025       0.24033056 
           0.24052925       0.17908966       0.73228756 
           0.51658293       0.19517148       0.54943926 
           0.73726568       0.18145033       0.22089195 
           0.48818869       0.18155422       0.02573349 
           0.80595998       0.17598196       0.76474862 
           0.43078609       0.70531392       0.86455752 
           0.42124564       0.70687881       0.34176565 
           0.02494867       0.70961876       0.77666074 
           0.71849111       0.70272084       0.56112242 
           0.90202173       0.62973758       0.53147746 
           0.14873170       0.60510221       0.15852827 
           0.90392585       0.60725166       0.10957711 
           0.65363055       0.60562896       0.16178532 
           0.39801455       0.60869258       0.11854927 
           0.82440842       0.45330737       0.94303570 
           0.02148266       0.14526866       0.48663545 
           0.32247781       0.17586847       0.16232455 
           0.14734739       0.17795859       0.67045159 
           0.42107900       0.18802321       0.60772553 
           0.76234432       0.14550070       0.25435192 
           0.58750985       0.17744857       0.08168611 
           0.85284518       0.17397740       0.68035850 
           0.49011239       0.77541877       0.59481396 
           0.29340989       0.78942054       0.61731714 
   
  
  
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          62 
          63 
          64 
          65 
          66 
          67 
          68 
          69 
          70 
          71 
          72 
          73 
          74 
          75 
  
 
 
  
          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
       613.61400000
         0.00001000
       38
       10
      195
       -1
       -1
       311.00000000
        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      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
           0.00000001
           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
      120
       54
       80
      240
      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      0.99000000      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
  
  
        3
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000     35.45300000      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
        16.46841333
         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  
  
 
 
        75 
         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
    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
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    Cl   3
    Cl   3
    Cl   3
    Cl   3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    F    5
    F    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      40Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      16O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       4Cl     35.45300000      7.00000000  PAW_PBE Cl 06Sep2000                  
      13H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       2F      18.99800000      7.00000000  PAW_PBE F 08Apr2002                   
   
  
 
 
  
   
           7.76984868       0.00000000       0.00000000 
           0.13032753      24.44030431       0.00000000 
           0.04503821      -0.11094984      10.84033246 
   
      2058.55166672 
   
           0.12870264      -0.00068630      -0.00054174 
           0.00000000       0.04091602       0.00041877 
           0.00000000       0.00000000       0.09224809 
   
  
  
          0.01513641       0.46570447       0.07496230 
          0.99285493       0.54834267       0.43975504 
          0.26297319       0.46514719       0.19565031 
          0.24140161       0.54637099       0.31382832 
          0.00003232       0.23722116       0.43244797 
          0.25003232       0.23722116       0.31746257 
          0.00003232       0.31013852       0.06306511 
          0.25003232       0.31013852       0.18684543 
          0.00003232       0.38664265       0.43667756 
          0.25003232       0.38664265       0.31323298 
          0.00164360       0.46764330       0.55994584 
          0.00543967       0.54996522       0.95494067 
          0.24670805       0.46974243       0.69548377 
          0.24545187       0.55201707       0.82581015 
          0.25003232       0.23722116       0.81746257 
          0.00003232       0.31013852       0.56306511 
          0.25003232       0.31013852       0.68684543 
          0.00003232       0.38664265       0.93667756 
          0.25003232       0.38664265       0.81323298 
          0.50855567       0.46698414       0.06315747 
          0.49482377       0.54933938       0.43194613 
          0.75410364       0.46482859       0.19404555 
          0.74806048       0.54542228       0.31203267 
          0.50003232       0.23722116       0.43244797 
          0.75003232       0.23722116       0.31746257 
          0.50003232       0.31013852       0.06306511 
          0.75003232       0.31013852       0.18684543 
          0.50003232       0.38664265       0.43667756 
          0.75003232       0.38664265       0.31323298 
          0.49410156       0.46812057       0.56197757 
          0.48190093       0.55309941       0.95833180 
          0.74936185       0.46725356       0.68146063 
          0.74318012       0.53435452       0.84807651 
          0.50003232       0.23722116       0.93244797 
          0.75003232       0.23722116       0.81746257 
          0.75003232       0.31013852       0.68684543 
          0.50003232       0.38664265       0.93667756 
          0.75003232       0.38664265       0.81323298 
          0.25804720       0.67538519       0.74145150 
          0.48067003       0.67528297       0.50761226 
          0.24810475       0.60906649       0.74824555 
          0.50283307       0.60872536       0.50586432 
          0.99211949       0.60146129       0.53679065 
          0.24770727       0.60012163       0.21740370 
          0.00429307       0.60488770       0.04984304 
          0.75624219       0.60008895       0.21703646 
          0.49675307       0.60600791       0.05695757 
          0.71758482       0.47608010       0.93631913 
          0.32092051       0.68323225       0.60178661 
          0.00218611       0.18028413       0.52856477 
          0.25574254       0.17724025       0.24033056 
          0.24052925       0.17908966       0.73228756 
          0.51658293       0.19517148       0.54943926 
          0.73726568       0.18145033       0.22089195 
          0.48818869       0.18155422       0.02573349 
          0.80595998       0.17598196       0.76474862 
          0.43078609       0.70531392       0.86455752 
          0.42124564       0.70687881       0.34176565 
          0.02494867       0.70961876       0.77666074 
          0.71849111       0.70272084       0.56112242 
          0.90202173       0.62973758       0.53147746 
          0.14873170       0.60510221       0.15852827 
          0.90392585       0.60725166       0.10957711 
          0.65363055       0.60562896       0.16178532 
          0.39801455       0.60869258       0.11854927 
          0.82440842       0.45330737       0.94303570 
          0.02148266       0.14526866       0.48663545 
          0.32247781       0.17586847       0.16232455 
          0.14734739       0.17795859       0.67045159 
          0.42107900       0.18802321       0.60772553 
          0.76234432       0.14550070       0.25435192 
          0.58750985       0.17744857       0.08168611 
          0.85284518       0.17397740       0.68035850 
          0.49011239       0.77541877       0.59481396 
          0.29340989       0.78942054       0.61731714 
  
  
     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 
     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 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      11.20   11.25
      12.13   12.18
   
        137.43675454 
      17677.35663938 
     -30554.83385305 
        258.36564560 
      11477.00382189 
     -10812.82478760 
         -0.03038222 
       -398.44188195 
      14158.83048887 
       1942.86244546 
       1942.89282768 
       1942.87257287 
   
  
  
      15.97   15.98
      15.97   15.98
   
       -108.61545163 
       -108.59926314 
       -108.61005547 
   
  
  
      14.68   14.69
      14.68   14.69
   
       -414.90480612 
       -414.88529360 
       -414.89830194 
   
  
  
      15.00   15.01
      15.00   15.01
   
       -427.92077162 
       -427.93916660 
       -427.92690328 
   
  
  
      15.91   15.92
      16.07   16.08
   
       -428.62960342 
       -428.64011131 
       -428.63310605 
   
  
  
      16.08   16.09
      16.68   16.69
   
       -414.62961195 
       -414.61717125 
       -414.62546505 
   
  
  
      14.76   14.77
      15.38   15.39
   
       -403.73935270 
       -403.70764940 
       -403.72878493 
   
  
  
      15.52   15.53
      16.30   16.31
   
       -400.78728236 
       -400.81805849 
       -400.79754107 
   
  
  
      15.15   15.17
      16.00   16.01
   
       -400.85374962 
       -400.84556985 
       -400.85102303 
   
  
  
      14.32   14.33
      14.94   14.96
   
       -400.28251960 
       -400.27275276 
       -400.27926399 
   
  
  
      15.63   15.67
      16.25   16.30
   
       -399.20447566 
       -399.19280002 
       -399.20058378 
   
  
  
      14.56   14.58
      15.25   15.27
   
       -400.02539472 
       -400.04575313 
       -400.03218086 
   
  
  
      15.14   15.16
      15.81   15.83
   
       -398.74117650 
       -398.73062711 
       -398.73766004 
   
  
  
      14.31   14.34
      14.95   14.99
   
       -398.81352354 
       -398.80297925 
       -398.81000878 
   
  
  
      15.04   15.05
      15.72   15.73
   
       -398.67594727 
       -398.67394743 
       -398.67528066 
   
  
  
      16.08   16.10
      16.68   16.70
   
       -398.59271196 
       -398.50608271 
       -398.56383554 
   
  
  
      14.36   14.38
      14.99   15.02
   
       -398.56405338 
       -398.51687500 
       -398.54832725 
   
  
  
      13.95   13.97
      14.57   14.60
   
       -398.58591405 
       -398.52895406 
       -398.56692738 
   
  
  
      14.84   14.87
      15.47   15.50
   
       -398.58752051 
       -398.52259099 
       -398.56587734 
   
  
  
      14.33   14.36
      14.98   15.00
   
       -398.58980411 
       -398.52720555 
       -398.56893792 
   
  
  
      14.79   14.83
      15.41   15.45
   
       -398.59076369 
       -398.53106664 
       -398.57086467 
   
  
  
      14.05   14.09
      14.71   14.75
   
       -398.59194170 
       -398.52849155 
       -398.57079165 
   
  
  
      14.63   14.65
      15.24   15.27
   
       -398.59264038 
       -398.53259491 
       -398.57262522 
   
  
  
      14.38   14.40
      15.03   15.05
   
       -398.59376513 
       -398.53153849 
       -398.57302292