vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  15:39:22 
 
 
  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 
    
   
   
           0.90162967       0.52504364       0.10812768 
           0.87903307       0.23688072       0.43796380 
           0.13781061       0.45863753       0.18569555 
           0.11604418       0.29029742       0.34021753 
           0.84334989       0.33083423       0.02462026 
           0.95768176       0.42445836       0.51453200 
           0.09641871       0.33607304       0.14376620 
           0.18849217       0.41051267       0.37578222 
           0.82529130       0.55056531       0.53286652 
           0.78248072       0.24647431       0.87461614 
           0.07474496       0.51335840       0.64579410 
           0.04009660       0.21118257       0.76436490 
           0.90647505       0.31673986       0.60097163 
           0.87596219       0.44329826       0.95140428 
           0.15763020       0.32923643       0.73224324 
           0.11494481       0.43912867       0.81758840 
           0.39647195       0.50819689       0.11595927 
           0.38663129       0.26843573       0.43013436 
           0.66610154       0.46460300       0.19413290 
           0.64908665       0.30133301       0.34468212 
           0.34730727       0.33381023       0.02500776 
           0.42841814       0.43404243       0.50242547 
           0.60124997       0.34605792       0.15007872 
           0.69916388       0.45062753       0.40635347 
           0.36232942       0.54265235       0.58718694 
           0.28429700       0.24590286       0.87919128 
           0.62225775       0.54147067       0.69836555 
           0.53608316       0.21615480       0.75933811 
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           0.66688528       0.33358782       0.72936193 
           0.63311899       0.44334067       0.82151395 
           0.65254129       0.60323714       0.78207260 
           0.47995695       0.63112539       0.48405806 
           0.36397570       0.60781034       0.48494681 
   
  
  
           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
        -3.00000000
         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 
   
  
  
          0.90162967       0.52504364       0.10812768 
          0.87903307       0.23688072       0.43796380 
          0.13781061       0.45863753       0.18569555 
          0.11604418       0.29029742       0.34021753 
          0.84334989       0.33083423       0.02462026 
          0.95768176       0.42445836       0.51453200 
          0.09641871       0.33607304       0.14376620 
          0.18849217       0.41051267       0.37578222 
          0.82529130       0.55056531       0.53286652 
          0.78248072       0.24647431       0.87461614 
          0.07474496       0.51335840       0.64579410 
          0.04009660       0.21118257       0.76436490 
          0.90647505       0.31673986       0.60097163 
          0.87596219       0.44329826       0.95140428 
          0.15763020       0.32923643       0.73224324 
          0.11494481       0.43912867       0.81758840 
          0.39647195       0.50819689       0.11595927 
          0.38663129       0.26843573       0.43013436 
          0.66610154       0.46460300       0.19413290 
          0.64908665       0.30133301       0.34468212 
          0.34730727       0.33381023       0.02500776 
          0.42841814       0.43404243       0.50242547 
          0.60124997       0.34605792       0.15007872 
          0.69916388       0.45062753       0.40635347 
          0.36232942       0.54265235       0.58718694 
          0.28429700       0.24590286       0.87919128 
          0.62225775       0.54147067       0.69836555 
          0.53608316       0.21615480       0.75933811 
          0.40751970       0.33044809       0.61190546 
          0.37397852       0.44311387       0.93462284 
          0.66688528       0.33358782       0.72936193 
          0.63311899       0.44334067       0.82151395 
          0.65254129       0.60323714       0.78207260 
          0.47995695       0.63112539       0.48405806 
          0.36397570       0.60781034       0.48494681 
  
 
 
  
      13.56   13.70
      14.35   14.49
   
         24.76344702 
       8796.38178134 
     -12082.04986430 
       -264.77477465 
       3167.08814863 
      -2605.71786812 
         -0.01398585 
       -190.20961393 
       3755.32434067 
        600.79161082 
        600.80559667 
        600.79627277 
   
  
  
      18.24   18.24
      18.25   18.25
   
        -92.79239320 
        -92.79914171 
        -92.79464270 
   
  
  
      17.43   17.43
      17.43   17.43
   
       -166.47267541 
       -166.47444692 
       -166.47326592 
   
  
  
      18.20   18.19
      18.20   18.20
   
       -169.18109199 
       -169.18434705 
       -169.18217701 
   
  
  
      19.63   19.63
      19.78   19.77
   
       -169.31555315 
       -169.31880284 
       -169.31663638 
   
  
  
      15.34   15.34
      16.21   16.21
   
       -145.56433550 
       -145.59690176 
       -145.57519092 
   
  
  
      16.17   16.17
      16.98   16.98
   
       -144.79588015 
       -144.83516015 
       -144.80897349 
   
  
  
      18.12   18.12
      18.94   18.94
   
       -145.63711870 
       -145.67560493 
       -145.64994744 
   
  
  
      16.87   16.87
      17.66   17.66
   
       -150.84499836 
       -150.86791357 
       -150.85263677 
   
  
  
      16.38   16.38
      17.17   17.17
   
       -154.43120042 
       -154.43602916 
       -154.43281000 
   
  
  
      16.34   16.34
      17.13   17.13
   
       -164.92887607 
       -164.92958136 
       -164.92911117 
   
  
  
      16.60   16.60
      17.40   17.41
   
       -169.17852760 
       -169.18727010 
       -169.18144177 
   
  
  
      16.37   16.37
      17.18   17.18
   
       -171.69574890 
       -171.70339863 
       -171.69829881 
   
  
  
      16.61   16.61
      17.42   17.42
   
       -172.79590041 
       -172.80344467 
       -172.79841516 
   
  
  
      16.57   16.57
      17.36   17.36
   
       -173.36658085 
       -173.37898786 
       -173.37071652 
   
  
  
      17.26   17.26
      18.08   18.08
   
       -173.83405747 
       -173.85079267 
       -173.83963587 
   
  
  
      17.76   17.76
      18.55   18.55
   
       -174.05642569 
       -174.07303675 
       -174.06196271 
   
  
  
      16.69   16.70
      17.51   17.51
   
       -174.16553410 
       -174.18130333 
       -174.17079051 
   
  
  
      17.73   17.73
      18.55   18.55
   
       -174.24605004 
       -174.26212619 
       -174.25140876 
   
  
  
      16.68   16.68
      17.49   17.49
   
       -174.29659690 
       -174.31246883 
       -174.30188754 
   
  
  
      17.95   17.95
      18.75   18.75
   
       -174.32071313 
       -174.33666965 
       -174.32603197 
   
  
  
      18.16   18.16
      18.97   18.97
   
       -174.33936105 
       -174.35526180 
       -174.34466130 
   
  
  
      17.80   17.80
      18.61   18.60
   
       -174.34665534 
       -174.36245071 
       -174.35192047 
   
  
  
      16.51   16.51
      17.33   17.33
   
       -174.35027690 
       -174.36609878 
       -174.35555086 
   
  
  
      17.34   17.34
      18.27   18.27
   
       -174.35134916 
       -174.36720612 
       -174.35663481 
   
  
  
      16.67   16.66
      17.56   17.56
   
       -174.35177796 
       -174.36761836 
       -174.35705809 
   
  
  
      15.06   15.06
      15.98   15.98
   
       -174.35190246 
       -174.36773664 
       -174.35718052 
   
  
  
      16.59   16.59
      17.51   17.51
   
       -174.35192656 
       -174.36775827 
       -174.35720379 
   
  
  
      13.42   13.42
      14.31   14.31
   
       -174.35194359 
       -174.36777110 
       -174.35721942 
   
  
  
      12.87   12.87
      13.76   13.76
   
       -174.35196054 
       -174.36778630 
       -174.35723579 
   
  
  
      12.12   12.12
      13.03   13.02
   
       -174.35198379 
       -174.36781169 
       -174.35725976