vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  18:48:16 
 
 
  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 
    
   
   
           0.92796194       0.52821318       0.10845369 
           0.85374734       0.23332302       0.42858632 
           0.13530648       0.44858484       0.19560088 
           0.09657210       0.28343384       0.33359975 
           0.81878072       0.33387015       0.02624049 
           0.95780562       0.42194588       0.51868463 
           0.08261808       0.33380261       0.13719406 
           0.19862744       0.40718431       0.38988398 
           0.83218984       0.54585186       0.51892969 
           0.77213147       0.24448884       0.88286270 
           0.05998959       0.51128913       0.65252763 
           0.01646469       0.20579389       0.76377456 
           0.90238177       0.31087993       0.59355992 
           0.86464337       0.44462855       0.95425545 
           0.13930642       0.32369016       0.73681853 
           0.09900308       0.43518929       0.81843790 
           0.41987720       0.46374227       0.12113008 
           0.36676150       0.29031732       0.42182529 
           0.68807493       0.48258421       0.20741051 
           0.64510683       0.31298095       0.34187764 
           0.32757003       0.31915218       0.01117186 
           0.43541082       0.43721251       0.52071441 
           0.56393588       0.34801318       0.14297076 
           0.69363445       0.42990787       0.40083863 
           0.31553641       0.55392370       0.54846262 
           0.27653732       0.23249058       0.86704516 
           0.59932625       0.51817688       0.65343792 
           0.53831641       0.21004351       0.75171726 
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           0.36892584       0.42810615       0.91978275 
           0.67104547       0.32713938       0.72864156 
           0.63097005       0.43780142       0.81378322 
           0.65340196       0.69311429       0.62613075 
           0.65378341       0.70449299       0.56094133 
           0.45116755       0.57990550       0.67048802 
   
  
  
           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 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
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          0.00000000       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
      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
         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
    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 
   
  
  
          0.92796194       0.52821318       0.10845369 
          0.85374734       0.23332302       0.42858632 
          0.13530648       0.44858484       0.19560088 
          0.09657210       0.28343384       0.33359975 
          0.81878072       0.33387015       0.02624049 
          0.95780562       0.42194588       0.51868463 
          0.08261808       0.33380261       0.13719406 
          0.19862744       0.40718431       0.38988398 
          0.83218984       0.54585186       0.51892969 
          0.77213147       0.24448884       0.88286270 
          0.05998959       0.51128913       0.65252763 
          0.01646469       0.20579389       0.76377456 
          0.90238177       0.31087993       0.59355992 
          0.86464337       0.44462855       0.95425545 
          0.13930642       0.32369016       0.73681853 
          0.09900308       0.43518929       0.81843790 
          0.41987720       0.46374227       0.12113008 
          0.36676150       0.29031732       0.42182529 
          0.68807493       0.48258421       0.20741051 
          0.64510683       0.31298095       0.34187764 
          0.32757003       0.31915218       0.01117186 
          0.43541082       0.43721251       0.52071441 
          0.56393588       0.34801318       0.14297076 
          0.69363445       0.42990787       0.40083863 
          0.31553641       0.55392370       0.54846262 
          0.27653732       0.23249058       0.86704516 
          0.59932625       0.51817688       0.65343792 
          0.53831641       0.21004351       0.75171726 
          0.39854795       0.32739778       0.62411223 
          0.36892584       0.42810615       0.91978275 
          0.67104547       0.32713938       0.72864156 
          0.63097005       0.43780142       0.81378322 
          0.65340196       0.69311429       0.62613075 
          0.65378341       0.70449299       0.56094133 
          0.45116755       0.57990550       0.67048802 
  
 
 
  
      14.85   15.00
      15.57   15.72
   
         24.76344702 
       9011.93968290 
     -12293.51162158 
       -264.15251906 
       3167.08814863 
      -2605.71786812 
          0.00580601 
       -186.58344096 
       3755.32434067 
        609.15597551 
        609.15016951 
        609.15404018 
   
  
  
      18.43   18.43
      18.43   18.43
   
        -86.97483384 
        -86.94982126 
        -86.96649631 
   
  
  
      17.69   17.69
      17.70   17.69
   
       -162.40677154 
       -162.38245507 
       -162.39866605 
   
  
  
      18.35   18.35
      18.36   18.35
   
       -165.45427750 
       -165.42787792 
       -165.44547764 
   
  
  
      19.10   19.09
      19.25   19.25
   
       -165.59466447 
       -165.56814551 
       -165.58582482 
   
  
  
      20.30   20.29
      21.11   21.11
   
     -26007.17710321 
     -26007.18835386 
     -26007.18085343 
   
  
  
      15.65   15.65
      16.43   16.43
   
        -87.87388606 
        -87.86540262 
        -87.87105825 
   
  
  
      18.80   18.79
      19.58   19.58
   
       -137.48020001 
       -137.47564056 
       -137.47868019 
   
  
  
      17.40   17.40
      18.19   18.19
   
       -142.75192966 
       -142.72600461 
       -142.74328798 
   
  
  
      17.65   17.65
      18.46   18.46
   
       -148.41447737 
       -148.38828761 
       -148.40574745 
   
  
  
      17.23   17.23
      18.02   18.02
   
       -151.99838739 
       -151.98520395 
       -151.99399291 
   
  
  
      16.07   16.06
      16.90   16.90
   
       -166.59653677 
       -166.59801767 
       -166.59703040 
   
  
  
      15.65   15.65
      16.44   16.43
   
       -155.70917130 
       -155.68841653 
       -155.70225304 
   
  
  
      18.45   18.44
      19.22   19.22
   
       -216.27313418 
       -216.28631895 
       -216.27752910 
   
  
  
      15.74   15.74
      16.53   16.52
   
       -151.38769809 
       -151.38791385 
       -151.38777001 
   
  
  
      16.14   16.14
      16.94   16.94
   
       -164.53310198 
       -164.53023329 
       -164.53214575 
   
  
  
      15.49   15.49
      16.36   16.36
   
       -164.13391967 
       -164.14736407 
       -164.13840114 
   
  
  
      16.30   16.30
      17.16   17.16
   
       -168.09733190 
       -168.11933963 
       -168.10466781 
   
  
  
      15.54   15.54
      16.39   16.39
   
       -168.90893548 
       -168.89467237 
       -168.90418111 
   
  
  
      15.39   15.39
      16.26   16.26
   
       -184.16958307 
       -184.15145899 
       -184.16354171 
   
  
  
      19.46   19.45
      20.33   20.33
   
       -170.19911242 
       -170.22235185 
       -170.20685890 
   
  
  
      17.28   17.28
      18.15   18.15
   
       -173.17896271 
       -173.20398464 
       -173.18730335 
   
  
  
      16.36   16.36
      17.25   17.25
   
       -173.50509886 
       -173.53079405 
       -173.51366393 
   
  
  
      16.79   16.79
      17.69   17.69
   
       -173.81639533 
       -173.84248151 
       -173.82509073 
   
  
  
      16.71   16.71
      17.66   17.66
   
       -174.02916164 
       -174.05545602 
       -174.03792643 
   
  
  
      16.61   16.61
      17.52   17.52
   
       -175.28163641 
       -175.30784411 
       -175.29037231 
   
  
  
      14.98   14.97
      15.86   15.86
   
       -166.95192094 
       -166.92742055 
       -166.94375414 
   
  
  
      15.92   15.92
      16.82   16.82
   
       -173.90704580 
       -173.93325549 
       -173.91578237 
   
  
  
      15.22   15.22
      16.11   16.11
   
       -175.62638203 
       -175.65255459 
       -175.63510622 
   
  
  
      13.25   13.25
      14.12   14.12
   
       -174.16377095 
       -174.18990688 
       -174.17248293 
   
  
  
      13.03   13.03
      13.93   13.93
   
       -174.46949700 
       -174.49549950 
       -174.47816450 
   
  
  
      10.28   10.28
      11.17   11.17
   
       -174.21787085 
       -174.24354011 
       -174.22642727 
   
  
  
       8.45    8.45
       9.33    9.33
   
       -173.96831308 
       -173.99378501 
       -173.97680372 
   
  
  
       5.59    5.59
       6.47    6.47
   
       -174.37455864 
       -174.40005571 
       -174.38305766 
   
  
  
       2.74    2.74
       3.63    3.63
   
       -175.24008940 
       -175.26549470 
       -175.24855783 
   
  
  
       3.10    3.10
       3.97    3.97
   
       -175.07919779 
       -175.10462172 
       -175.08767243 
   
  
  
       1.27    1.27
       2.14    2.14
   
       -177.32725492 
       -177.35268782 
       -177.33573255 
   
  
  
       1.42    1.42
       2.25    2.25
   
       -380.07779696 
       -380.04751669 
       -380.06770354 
   
  
  
       1.37    1.37
       2.21    2.21
   
     -33350.54779052 
     -33350.52634935 
     -33350.54064346 
   
  
  
       1.21    1.21
       2.03    2.03
   
       -161.41985165 
       -161.44552216 
       -161.42840848 
   
  
  
       1.22    1.22
       2.05    2.05
   
       -171.16609108 
       -171.19182178 
       -171.17466798 
   
  
  
       1.28    1.28
       2.10    2.10
   
       -172.49733216 
       -172.52284831 
       -172.50583754 
   
  
  
       1.16    1.16
       1.98    1.98
   
       -183.40469662 
       -183.36902775 
       -183.39280700 
   
  
  
       1.16    1.16
       1.99    1.99
   
       -169.59227055 
       -169.62229621 
       -169.60227911 
   
  
  
       1.24    1.24
       2.07    2.07
   
       -169.65962213 
       -169.68798009 
       -169.66907478 
   
  
  
       1.16    1.16
       2.00    2.00
   
       -172.85083609 
       -172.83757619 
       -172.84641612 
   
  
  
       1.57    1.57
       2.40    2.40
   
      -6491.65739931 
      -6491.65858125 
      -6491.65779329 
   
  
  
       1.21    1.21
       2.06    2.06
   
       -162.65161328 
       -162.62709296 
       -162.64343984 
   
  
  
       1.34    1.34
       2.20    2.20
   
       -172.70118128 
       -172.72909476 
       -172.71048578 
   
  
  
       1.35    1.35
       2.21    2.21
   
       -169.08148789 
       -169.10654483 
       -169.08984020 
   
  
  
       1.57    1.56
       2.41    2.41
   
       -789.94612073 
       -789.91595595 
       -789.93606580 
   
  
  
       1.33    1.33
       2.19    2.19
   
       -165.26299307 
       -165.28967829 
       -165.27188815 
   
  
  
       1.34    1.34
       2.20    2.20
   
       -172.99211514 
       -173.01684685 
       -173.00035904 
   
  
  
       1.35    1.35
       2.23    2.23
   
       -173.02168323 
       -173.04592126 
       -173.02976258 
   
  
  
       1.35    1.35
       2.18    2.18
   
       -172.41572833 
       -172.43975073 
       -172.42373580 
   
  
  
       1.30    1.30
       2.13    2.13
   
       -173.84792468 
       -173.87124875 
       -173.85569937 
   
  
  
       1.31    1.31
       2.17    2.17
   
       -174.03230780 
       -174.05545502 
       -174.04002354 
   
  
  
       1.73    1.73
       2.58    2.58
   
      -7049.89684970 
      -7049.87870155 
      -7049.89080032 
   
  
  
       1.26    1.26
       2.11    2.11
   
       -158.07548693 
       -158.07058546 
       -158.07385310 
   
  
  
       1.35    1.35
       2.20    2.20
   
       -167.54554557 
       -167.52925488 
       -167.54011534 
   
  
  
       1.34    1.34
       2.18    2.18
   
       -176.01603953 
       -176.03963937 
       -176.02390614 
   
  
  
       1.36    1.36
       2.22    2.22
   
       -173.99976862 
       -174.02322340 
       -174.00758688 
   
  
  
       1.34    1.34
       2.19    2.19
   
       -173.22352028 
       -173.24682920 
       -173.23128992 
   
  
  
       1.35    1.35
       2.20    2.20
   
       -173.14099291 
       -173.16424353 
       -173.14874312 
   
  
  
       1.30    1.30
       2.14    2.14
   
       -173.00941734 
       -173.03260029 
       -173.01714499 
   
  
  
       1.14    1.14
       1.98    1.98
   
       -193.42780071 
       -193.39872656 
       -193.41810933 
   
  
  
       1.22    1.22
       2.06    2.06
   
       -173.88103605 
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       1.23    1.23
       2.07    2.07
   
       -172.43332076 
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       -172.44089479 
   
  
  
       1.25    1.25
       2.12    2.12
   
       -174.31489897 
       -174.33758032 
       -174.32245942 
   
  
  
       1.19    1.19
       2.04    2.04
   
       -171.72458147 
       -171.74740072 
       -171.73218788 
   
  
  
       1.17    1.17
       2.02    2.02
   
       -176.41214214 
       -176.43520107 
       -176.41982845 
   
  
  
       1.19    1.19
       2.04    2.04
   
       -173.99541869 
       -174.01833014 
       -174.00305584