vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  23:06:26 
 
 
  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
        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
  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 
    
   
   
           0.87259862       0.54090696       0.06047574 
           0.87658647       0.25793176       0.41047972 
           0.11769640       0.50017422       0.16649300 
           0.12680937       0.21834017       0.30751675 
           0.87371825       0.33293982       0.07473131 
           0.87215159       0.43389204       0.46516402 
           0.12322726       0.32634776       0.20480417 
           0.11930785       0.42646869       0.33271386 
           0.87750176       0.54786039       0.55002917 
           0.87131473       0.25454573       0.91392595 
           0.12648914       0.50704758       0.65521544 
           0.12223946       0.21445411       0.81119707 
           0.87519444       0.33024418       0.58078170 
           0.87596143       0.43512141       0.95123497 
           0.12530088       0.32217716       0.70869741 
           0.12521392       0.42683208       0.81900816 
           0.37267088       0.53463439       0.06541251 
           0.37640592       0.25813955       0.41215653 
           0.62716328       0.50009110       0.16639587 
           0.62603567       0.21859740       0.30735232 
           0.37341349       0.33269335       0.07578300 
           0.37227127       0.43782168       0.45999967 
           0.62388339       0.32646605       0.20449627 
           0.62539696       0.42657547       0.33280823 
           0.37570791       0.55942740       0.55901873 
           0.37131259       0.25401779       0.91603406 
           0.62928864       0.50645547       0.65473331 
           0.62099854       0.21418477       0.81156746 
           0.37520012       0.33281040       0.57999996 
           0.37539330       0.43297059       0.94755387 
           0.62536493       0.32191077       0.70882345 
           0.62637975       0.42653368       0.81960790 
           0.35801229       0.69221329       0.55073063 
           0.38046986       0.68552939       0.45734320 
           0.37496861       0.86387186       0.50633257 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
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          19 
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          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 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          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
       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
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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
    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 
   
  
  
          0.87259862       0.54090696       0.06047574 
          0.87658647       0.25793176       0.41047972 
          0.11769640       0.50017422       0.16649300 
          0.12680937       0.21834017       0.30751675 
          0.87371825       0.33293982       0.07473131 
          0.87215159       0.43389204       0.46516402 
          0.12322726       0.32634776       0.20480417 
          0.11930785       0.42646869       0.33271386 
          0.87750176       0.54786039       0.55002917 
          0.87131473       0.25454573       0.91392595 
          0.12648914       0.50704758       0.65521544 
          0.12223946       0.21445411       0.81119707 
          0.87519444       0.33024418       0.58078170 
          0.87596143       0.43512141       0.95123497 
          0.12530088       0.32217716       0.70869741 
          0.12521392       0.42683208       0.81900816 
          0.37267088       0.53463439       0.06541251 
          0.37640592       0.25813955       0.41215653 
          0.62716328       0.50009110       0.16639587 
          0.62603567       0.21859740       0.30735232 
          0.37341349       0.33269335       0.07578300 
          0.37227127       0.43782168       0.45999967 
          0.62388339       0.32646605       0.20449627 
          0.62539696       0.42657547       0.33280823 
          0.37570791       0.55942740       0.55901873 
          0.37131259       0.25401779       0.91603406 
          0.62928864       0.50645547       0.65473331 
          0.62099854       0.21418477       0.81156746 
          0.37520012       0.33281040       0.57999996 
          0.37539330       0.43297059       0.94755387 
          0.62536493       0.32191077       0.70882345 
          0.62637975       0.42653368       0.81960790 
          0.35801229       0.69221329       0.55073063 
          0.38046986       0.68552939       0.45734320 
          0.37496861       0.86387186       0.50633257 
  
 
 
  
       5.89    5.95
       6.40    6.45
   
         24.76344702 
       6898.09352887 
     -10233.05836544 
       -274.56392633 
       3170.77583059 
      -2609.60722799 
         -0.00168550 
       -134.75203287 
       3755.32434067 
        596.97390903 
        596.97559453 
        596.97447086 
   
  
  
       7.31    7.36
       7.31    7.36
   
        -94.95904019 
        -94.99764863 
        -94.97190967 
   
  
  
       7.17    7.22
       7.17    7.22
   
       -169.52869127 
       -169.55986224 
       -169.53908159 
   
  
  
       7.19    7.24
       7.19    7.24
   
       -172.60152194 
       -172.62547550 
       -172.60950646 
   
  
  
       8.16    8.21
       8.27    8.33
   
       -172.74610219 
       -172.76991661 
       -172.75404033 
   
  
  
       6.63    6.69
       7.20    7.27
   
       -168.25086399 
       -168.23858330 
       -168.24677043 
   
  
  
       6.61    6.67
       7.19    7.25
   
       -167.49549430 
       -167.56243271 
       -167.51780710 
   
  
  
       6.19    6.24
       6.75    6.81
   
       -160.93001813 
       -160.98564158 
       -160.94855928 
   
  
  
       6.39    6.45
       6.94    7.01
   
       -165.11640760 
       -165.17438033 
       -165.13573185 
   
  
  
       6.92    6.97
       7.47    7.52
   
       -166.22080753 
       -166.24433930 
       -166.22865145 
   
  
  
       6.68    6.77
       7.25    7.35
   
       -166.23407680 
       -166.25843158 
       -166.24219506 
   
  
  
       7.24    7.30
       7.79    7.86
   
       -166.23718905 
       -166.26164377 
       -166.24534062 
   
  
  
       6.27    6.33
       6.83    6.90
   
       -166.17390610 
       -166.19473875 
       -166.18085032 
   
  
  
       6.99    7.05
       7.54    7.60
   
       -166.60245767 
       -166.63571497 
       -166.61354344 
   
  
  
       6.63    6.69
       7.22    7.27
   
       -166.60207608 
       -166.63733223 
       -166.61382813 
   
  
  
       6.23    6.30
       6.81    6.88
   
       -166.55542870 
       -166.58446014 
       -166.56510585 
   
  
  
       6.84    6.89
       7.40    7.46
   
       -166.56849703 
       -166.59401515 
       -166.57700307 
   
  
  
       6.01    6.08
       6.59    6.65
   
       -166.70649499 
       -166.73240664 
       -166.71513221 
   
  
  
       6.32    6.38
       6.88    6.94
   
       -166.82739215 
       -166.85713038 
       -166.83730489 
   
  
  
       6.75    6.81
       7.30    7.37
   
       -166.84766896 
       -166.87796105 
       -166.85776632