vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 31 
  05:09:40 
 
 
  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 
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           0.92960866       0.52746202       0.10660873 
           0.84920001       0.23295571       0.42774717 
           0.13595123       0.44772950       0.19597056 
           0.09178697       0.28332768       0.33400176 
           0.81773881       0.33170836       0.02697261 
           0.95624811       0.42096121       0.51784589 
           0.08169700       0.33309903       0.13711155 
           0.19892880       0.40610007       0.39034322 
           0.83202026       0.54501627       0.52444554 
           0.77186057       0.24315425       0.88170744 
           0.06312301       0.50980608       0.65284845 
           0.01393116       0.20528709       0.75948880 
           0.90205654       0.30977679       0.59327417 
           0.86341858       0.44255637       0.95541508 
           0.13876473       0.32319192       0.73693882 
           0.09776111       0.43407526       0.81951438 
           0.42244701       0.46037642       0.12185902 
           0.36338937       0.29010212       0.42141397 
           0.69078901       0.48238383       0.20839059 
           0.64182857       0.31287640       0.34131293 
           0.32584928       0.31640929       0.01061170 
           0.43379899       0.43858071       0.52122129 
           0.56222657       0.34696254       0.14215742 
           0.69191253       0.42894613       0.40145290 
           0.31805568       0.55548238       0.55028142 
           0.27336537       0.23094707       0.86429569 
           0.59846015       0.51661102       0.65687780 
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           0.63005704       0.43521901       0.81519675 
           0.65642983       0.70805021       0.62093848 
           0.67653579       0.72099445       0.56138213 
           0.45640749       0.58053758       0.67229994 
   
  
  
           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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          0.00000000       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
      105
       -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
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        0
         0.50000000
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         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
  
  
        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
         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 
   
  
  
          0.92960866       0.52746202       0.10660873 
          0.84920001       0.23295571       0.42774717 
          0.13595123       0.44772950       0.19597056 
          0.09178697       0.28332768       0.33400176 
          0.81773881       0.33170836       0.02697261 
          0.95624811       0.42096121       0.51784589 
          0.08169700       0.33309903       0.13711155 
          0.19892880       0.40610007       0.39034322 
          0.83202026       0.54501627       0.52444554 
          0.77186057       0.24315425       0.88170744 
          0.06312301       0.50980608       0.65284845 
          0.01393116       0.20528709       0.75948880 
          0.90205654       0.30977679       0.59327417 
          0.86341858       0.44255637       0.95541508 
          0.13876473       0.32319192       0.73693882 
          0.09776111       0.43407526       0.81951438 
          0.42244701       0.46037642       0.12185902 
          0.36338937       0.29010212       0.42141397 
          0.69078901       0.48238383       0.20839059 
          0.64182857       0.31287640       0.34131293 
          0.32584928       0.31640929       0.01061170 
          0.43379899       0.43858071       0.52122129 
          0.56222657       0.34696254       0.14215742 
          0.69191253       0.42894613       0.40145290 
          0.31805568       0.55548238       0.55028142 
          0.27336537       0.23094707       0.86429569 
          0.59846015       0.51661102       0.65687780 
          0.53786077       0.20826495       0.75259991 
          0.39599257       0.32917085       0.62267664 
          0.36769758       0.42533879       0.92026416 
          0.66826108       0.32521080       0.72642528 
          0.63005704       0.43521901       0.81519675 
          0.65642983       0.70805021       0.62093848 
          0.67653579       0.72099445       0.56138213 
          0.45640749       0.58053758       0.67229994 
  
 
 
  
      12.47   12.51
      14.27   14.31
   
         24.76344702 
       8968.05180515 
     -12248.49377321 
       -264.12710409 
       3167.08814863 
      -2605.71786812 
         -0.00417274 
       -197.61731615 
       3755.32434067 
        599.26750716 
        599.27167990 
        599.26889807 
   
  
  
      15.61   15.62
      15.61   15.63
   
        -88.91286281 
        -88.91249645 
        -88.91274069 
   
  
  
      14.76   14.77
      14.76   14.77
   
       -162.26685513 
       -162.24161734 
       -162.25844253 
   
  
  
      15.33   15.36
      15.33   15.36
   
       -165.26068791 
       -165.23322234 
       -165.25153272 
   
  
  
      16.09   16.14
      16.22   16.28
   
       -165.40796532 
       -165.38046141 
       -165.39879735 
   
  
  
      13.59   13.64
      14.49   14.55
   
       -230.77690376 
       -230.74411643 
       -230.76597465 
   
  
  
      12.82   12.86
      13.68   13.73
   
       -128.44854887 
       -128.44442887 
       -128.44717554 
   
  
  
      17.46   17.49
      18.39   18.42
   
      -8672.87346516 
      -8672.89203612 
      -8672.87965548 
   
  
  
      13.68   13.73
      14.78   14.83
   
       -114.66274875 
       -114.66746020 
       -114.66431923 
   
  
  
      13.12   13.17
      14.32   14.37
   
       -127.49900262 
       -127.51649282 
       -127.50483269 
   
  
  
      14.37   14.41
      15.15   15.20
   
       -139.79154585 
       -139.77400573 
       -139.78569914 
   
  
  
      13.66   13.70
      14.58   14.63
   
       -145.96192248 
       -145.95188175 
       -145.95857557 
   
  
  
      13.90   14.00
      14.73   14.83
   
       -152.52797955 
       -152.53442877 
       -152.53012929 
   
  
  
      12.95   13.00
      13.75   13.80
   
       -155.40517362 
       -155.41038472 
       -155.40691066 
   
  
  
      13.87   13.92
      14.67   14.72
   
       -160.34663105 
       -160.35364375 
       -160.34896861 
   
  
  
      16.43   16.48
      17.24   17.29
   
      -3532.49159673 
      -3532.50020124 
      -3532.49446490 
   
  
  
      13.39   13.46
      14.26   14.34
   
       -158.44662198 
       -158.46847272 
       -158.45390556 
   
  
  
      14.11   14.15
      14.96   15.00
   
       -167.00679956 
       -167.03283310 
       -167.01547741 
   
  
  
      13.63   13.69
      14.44   14.49
   
       -171.69960699 
       -171.72646735 
       -171.70856044 
   
  
  
      14.32   14.36
      15.14   15.18
   
       -174.14545595 
       -174.17256780 
       -174.15449323 
   
  
  
      14.43   14.49
      15.27   15.33
   
       -172.17539455 
       -172.20292762 
       -172.18457224 
   
  
  
      19.60   19.63
      20.43   20.46
   
       -553.87842321 
       -553.85477050 
       -553.87053897 
   
  
  
      14.07   14.12
      15.05   15.10
   
       -165.74807455 
       -165.74853850 
       -165.74822920 
   
  
  
      13.78   13.83
      14.70   14.75
   
       -165.26615682 
       -165.24076103 
       -165.25769156 
   
  
  
      15.54   15.59
      16.42   16.47
   
       -172.87249159 
       -172.90017352 
       -172.88171890 
   
  
  
      14.07   14.11
      15.18   15.22
   
       -173.92058670 
       -173.94837810 
       -173.92985050 
   
  
  
      14.78   14.83
      15.62   15.68
   
       -173.98360053 
       -174.01143676 
       -173.99287927 
   
  
  
      13.56   13.60
      14.39   14.43
   
       -175.77174725 
       -175.79956377 
       -175.78101942 
   
  
  
       9.06    9.11
      10.54   10.59
   
       -174.84091493 
       -174.86874117 
       -174.85019034 
   
  
  
       8.69    8.74
       9.69    9.75
   
       -173.99823832 
       -174.02595328 
       -174.00747664 
   
  
  
       8.94    8.98
       9.73    9.77
   
       -174.03286762 
       -174.06045999 
       -174.04206507 
   
  
  
       8.81    8.86
       9.65    9.70
   
       -174.03627951 
       -174.06378159 
       -174.04544687 
   
  
  
       5.88    5.91
       6.80    6.83
   
       -174.02551899 
       -174.05296404 
       -174.03466734 
   
  
  
       2.89    2.96
       3.86    3.94
   
       -174.00958194 
       -174.03685909 
       -174.01867432 
   
  
  
       2.92    2.97
       3.81    3.86
   
       -174.00024640 
       -174.02736106 
       -174.00928462 
   
  
  
       2.87    2.91
       3.62    3.67
   
       -173.97426574 
       -174.00120662 
       -173.98324603 
   
  
  
       2.80    2.84
       3.49    3.53
   
       -173.94978596 
       -173.97664109 
       -173.95873767 
   
  
  
       2.92    2.96
       3.58    3.62
   
       -173.82707178 
       -173.85378605 
       -173.83597653 
   
  
  
       3.10    3.12
       3.77    3.79
   
       -173.11568546 
       -173.14219886 
       -173.12452326 
   
  
  
       1.75    1.77
       2.39    2.42
   
       -173.74363537 
       -173.77011366 
       -173.75246146 
   
  
  
       1.71    1.75
       2.37    2.41
   
       -173.73724635 
       -173.76370602 
       -173.74606624 
   
  
  
       1.61    1.63
       2.27    2.29
   
       -171.41045851 
       -171.43686202 
       -171.41925968 
   
  
  
       1.58    1.61
       2.24    2.27
   
       -172.98184550 
       -173.00822256 
       -172.99063786 
   
  
  
       1.55    1.57
       2.18    2.20
   
       -173.26407793 
       -173.29044889 
       -173.27286825 
   
  
  
       2.01    2.03
       2.64    2.66
   
     -10328.52942255 
     -10328.52079989 
     -10328.52654833 
   
  
  
       1.54    1.56
       2.17    2.19
   
       -149.26006804 
       -149.26032762 
       -149.26015457 
   
  
  
       1.72    1.74
       2.35    2.37
   
       -170.31003792 
       -170.31765282 
       -170.31257622 
   
  
  
       1.69    1.70
       2.32    2.34
   
       -173.53468489 
       -173.56018000 
       -173.54318326 
   
  
  
       1.74    1.76
       2.38    2.40
   
       -173.54882858 
       -173.57518449 
       -173.55761388 
   
  
  
       1.78    1.80
       2.42    2.44
   
       -173.27273774 
       -173.29915547 
       -173.28154365 
   
  
  
       1.72    1.74
       2.35    2.37
   
       -173.77897560 
       -173.80542998 
       -173.78779372 
   
  
  
       1.73    1.76
       2.36    2.39
   
       -173.77434928 
       -173.80080283 
       -173.78316713 
   
  
  
       1.70    1.72
       2.33    2.36
   
       -173.79759142 
       -173.82401245 
       -173.80639843 
   
  
  
       1.74    1.76
       2.39    2.41
   
       -173.80359515 
       -173.82999523 
       -173.81239518 
   
  
  
       1.51    1.53
       2.15    2.16
   
       -173.80099014 
       -173.82738639 
       -173.80978889 
   
  
  
       1.62    1.64
       2.25    2.27
   
       -173.79808527 
       -173.82449603 
       -173.80688886 
   
  
  
       1.52    1.54
       2.15    2.17
   
       -173.80140209 
       -173.82780455 
       -173.81020291 
   
  
  
       1.56    1.58
       2.20    2.21
   
       -173.79687488 
       -173.82327741 
       -173.80567572 
   
  
  
       1.53    1.54
       2.16    2.18
   
       -173.78770410 
       -173.81411129 
       -173.79650650 
   
  
  
       1.37    1.38
       2.01    2.02
   
       -173.78649889 
       -173.81290792 
       -173.79530190 
   
  
  
       1.62    1.63
       2.24    2.26
   
       -173.81680934 
       -173.84384202 
       -173.82582023 
   
  
  
       1.66    1.68
       2.29    2.31
   
       -173.88910090 
       -173.91616852 
       -173.89812344 
   
  
  
       2.35    2.36
       2.98    3.00
   
      -8003.07716328 
      -8003.05578690 
      -8003.07003782 
   
  
  
       1.60    1.62
       2.23    2.26
   
      -1831.40592537 
      -1831.38771454 
      -1831.39985509