vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  08:17:26 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
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       1
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  Auto
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        0.20000000
       1
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   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      19.66310000       0.00000000 
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       1632.96160543 
    
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           0.82128211       0.33336150       0.02688236 
           0.95871117       0.42265947       0.51897974 
           0.08498130       0.33489193       0.13865434 
           0.19960184       0.40654834       0.38989398 
           0.83412284       0.54695122       0.52034677 
           0.77449836       0.24478315       0.88176574 
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           0.02172501       0.20695089       0.76444911 
           0.90317773       0.31192807       0.59570383 
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           0.14329309       0.32443128       0.73658479 
           0.10011934       0.43544862       0.81867201 
           0.41493503       0.46987028       0.12079398 
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           0.68737265       0.47793939       0.20408182 
           0.64712518       0.31335708       0.34372584 
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           0.56965458       0.35209333       0.14644993 
           0.69416566       0.43047756       0.40220678 
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           0.44468247       0.58033467       0.65811156 
   
  
  
           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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          0.50000000       0.00000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
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   No title
    F  
  
  
   normal
       400.00000000
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         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
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          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
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          4
           0.40000000
    
   
   
          0.40000000
          1.00000000
          0.10000000
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          4
      F  
        -45
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          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
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       40
       96
       54
       80
      192
      108
    F  
  
  
        0
       -1
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         0.00010000
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        1
      256
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        2
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        0
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      301
        10.00000000
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        1
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    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
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         1.00000000
         1.00000000
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        1
        1
        1
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    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
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    F  
         0.00000000      0.00000000      0.00000000
    T  
    F  
    F  
    F  
    T  
        0
         0.00000000      0.00000000      0.00000000
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    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
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       -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 
   
  
  
          0.92333734       0.52812534       0.10644785 
          0.85757740       0.23479663       0.42946676 
          0.13366962       0.45021347       0.19733266 
          0.09985947       0.28663246       0.33695434 
          0.82128211       0.33336150       0.02688236 
          0.95871117       0.42265947       0.51897974 
          0.08498130       0.33489193       0.13865434 
          0.19960184       0.40654834       0.38989398 
          0.83412284       0.54695122       0.52034677 
          0.77449836       0.24478315       0.88176574 
          0.06016878       0.51127691       0.65342003 
          0.02172501       0.20695089       0.76444911 
          0.90317773       0.31192807       0.59570383 
          0.86413337       0.44388014       0.95283031 
          0.14329309       0.32443128       0.73658479 
          0.10011934       0.43544862       0.81867201 
          0.41493503       0.46987028       0.12079398 
          0.37319786       0.28362173       0.42296271 
          0.68737265       0.47793939       0.20408182 
          0.64712518       0.31335708       0.34372584 
          0.33250930       0.32209687       0.01434646 
          0.43488285       0.43602628       0.52043723 
          0.56965458       0.35209333       0.14644993 
          0.69416566       0.43047756       0.40220678 
          0.30972560       0.55160378       0.54115314 
          0.27997931       0.23452185       0.87012517 
          0.59505165       0.51895488       0.64935001 
          0.53941590       0.21011286       0.75407098 
          0.40069787       0.32676927       0.62181446 
          0.36886986       0.43036655       0.92082374 
          0.67004907       0.32820646       0.72939479 
          0.62927790       0.43930177       0.81254490 
          0.64813569       0.68650174       0.62832057 
          0.63547305       0.69363633       0.56279355 
          0.44468247       0.58033467       0.65811156 
  
 
 
  
      12.44   12.45
      13.70   13.72
   
         24.76344702 
       9062.51367815 
     -12342.46428999 
       -264.01034719 
       3167.08814863 
      -2605.71786812 
         -0.01037172 
       -197.05967906 
       3755.32434067 
        600.42705839 
        600.43743011 
        600.43051563 
   
  
  
      15.57   15.59
      15.58   15.59
   
        -88.50441991 
        -88.49203861 
        -88.50029281 
   
  
  
      14.89   14.94
      14.90   14.94
   
       -162.33090426 
       -162.31236633 
       -162.32472495 
   
  
  
      15.49   15.52
      15.49   15.52
   
       -165.32535247 
       -165.30494311 
       -165.31854935 
   
  
  
      16.09   16.15
      16.43   16.48
   
       -165.47015318 
       -165.44977428 
       -165.46336022 
   
  
  
      15.53   15.59
      16.93   16.98
   
      -9388.63430905 
      -9388.64380656 
      -9388.63747489 
   
  
  
      15.97   16.03
      16.80   16.85
   
      -8634.84453021 
      -8634.84973697 
      -8634.84626580 
   
  
  
      14.18   14.22
      14.98   15.02
   
       -129.56671245 
       -129.55045113 
       -129.56129201 
   
  
  
      14.30   14.35
      15.10   15.14
   
       -135.84864369 
       -135.83248791 
       -135.84325843 
   
  
  
      14.77   14.82
      15.59   15.64
   
       -141.67979317 
       -141.66439885 
       -141.67466173 
   
  
  
      17.34   17.39
      18.14   18.20
   
     -35872.30378506 
     -35872.29627563 
     -35872.30128191 
   
  
  
      13.19   13.24
      14.00   14.05
   
       -169.35726840 
       -169.36544966 
       -169.35999549 
   
  
  
      14.91   14.96
      15.73   15.78
   
       -137.38241921 
       -137.37767358 
       -137.38083734 
   
  
  
      14.07   14.12
      14.92   14.97
   
       -145.81409939 
       -145.79918129 
       -145.80912669 
   
  
  
      16.41   16.47
      17.22   17.27
   
     -71125.19521295 
     -71125.19836775 
     -71125.19626455 
   
  
  
      13.20   13.23
      14.05   14.09
   
       -110.53435601 
       -110.51691440 
       -110.52854214 
   
  
  
      14.32   14.37
      15.20   15.25
   
       -149.96773807 
       -149.97664276 
       -149.97070630 
   
  
  
      13.42   13.46
      14.23   14.27
   
       -163.23865802 
       -163.23549321 
       -163.23760308 
   
  
  
      14.37   14.41
      15.25   15.29
   
       -165.74586647 
       -165.75376296 
       -165.74849864 
   
  
  
      13.98   14.03
      14.85   14.90
   
       -166.04311522 
       -166.06437178 
       -166.05020074 
   
  
  
      13.65   13.68
      14.55   14.58
   
       -169.45878594 
       -169.48518971 
       -169.46758719 
   
  
  
      13.17   13.21
      14.03   14.07
   
       -165.63057880 
       -165.61876583 
       -165.62664114 
   
  
  
      13.07   13.11
      13.92   13.96
   
       -169.31326650 
       -169.34702778 
       -169.32452026 
   
  
  
      13.62   13.66
      14.45   14.50
   
       -171.68004082 
       -171.71337381 
       -171.69115182 
   
  
  
      12.99   13.03
      13.87   13.91
   
       -167.33621913 
       -167.36651125 
       -167.34631651 
   
  
  
      13.31   13.37
      14.22   14.28
   
       -171.10784009 
       -171.13794432 
       -171.11787483 
   
  
  
      14.89   14.95
      15.72   15.78
   
       -183.66242207 
       -183.65640172 
       -183.66041529 
   
  
  
      11.84   11.89
      12.90   12.95
   
       -170.72848887 
       -170.75807242 
       -170.73835005 
   
  
  
      10.13   10.18
      11.28   11.33
   
       -171.46274925 
       -171.49181933 
       -171.47243927 
   
  
  
      10.59   10.62
      11.45   11.48
   
       -171.37100323 
       -171.39985434 
       -171.38062027 
   
  
  
       9.18    9.22
      10.02   10.06
   
       -171.52639442 
       -171.55498065 
       -171.53592316 
   
  
  
       5.82    5.88
       6.77    6.84
   
       -233.98832421 
       -233.96613224 
       -233.98092688 
   
  
  
       5.94    5.98
       6.85    6.89
   
       -164.24335060 
       -164.27257719 
       -164.25309279 
   
  
  
       4.29    4.32
       5.08    5.12
   
       -166.29252442 
       -166.32240388 
       -166.30248424 
   
  
  
       4.29    4.33
       5.15    5.19
   
     -91286.03340701 
     -91286.01014663 
     -91286.02565355 
   
  
  
       2.60    2.65
       3.38    3.43
   
        -89.32732712 
        -89.31652266 
        -89.32372563 
   
  
  
       3.06    3.09
       3.78    3.81
   
       -162.10829911 
       -162.13608638 
       -162.11756153 
   
  
  
       3.03    3.08
       3.75    3.79
   
       -182.10939381 
       -182.13419982 
       -182.11766248 
   
  
  
       3.18    3.22
       3.91    3.95
   
       -245.02264108 
       -245.01489604 
       -245.02005940 
   
  
  
       2.96    3.00
       3.67    3.71
   
       -168.57343300 
       -168.58427128 
       -168.57704576 
   
  
  
       2.95    2.98
       3.67    3.69
   
       -172.13977720 
       -172.16803604 
       -172.14919682 
   
  
  
       3.06    3.10
       3.78    3.82
   
       -173.15011716 
       -173.17797766 
       -173.15940399 
   
  
  
       2.92    2.95
       3.64    3.67
   
       -173.03996433 
       -173.06771590 
       -173.04921486 
   
  
  
       3.03    3.06
       3.75    3.78
   
       -184.43276330 
       -184.46031419 
       -184.44194693 
   
  
  
       2.48    2.53
       3.20    3.25
   
       -172.78672577 
       -172.75748794 
       -172.77697983 
   
  
  
       2.72    2.76
       3.44    3.49
   
       -170.31559798 
       -170.30096004 
       -170.31071867 
   
  
  
       2.70    2.74
       3.43    3.47
   
       -172.63068336 
       -172.65747479 
       -172.63961384 
   
  
  
       2.95    2.97
       3.68    3.71
   
       -646.47303517 
       -646.45116294 
       -646.46574443 
   
  
  
       2.60    2.63
       3.33    3.36
   
      -3893.25265535 
      -3893.22930742 
      -3893.24487271 
   
  
  
       2.52    2.54
       3.27    3.28
   
       -159.02706051 
       -159.05457781 
       -159.03623294 
   
  
  
       2.85    2.88
       3.58    3.61
   
       -170.19547228 
       -170.22262375 
       -170.20452277 
   
  
  
       3.35    3.39
       4.08    4.11
   
      -1835.11671573 
      -1835.10390910 
      -1835.11244685 
   
  
  
       2.66    2.69
       3.39    3.42
   
       -171.44993352 
       -171.47921610 
       -171.45969438 
   
  
  
       2.70    2.73
       3.44    3.47
   
       -171.64482531 
       -171.67167419 
       -171.65377493 
   
  
  
       3.98    4.02
       4.70    4.74
   
     -20394.47467516 
     -20394.48426949 
     -20394.47787327 
   
  
  
       2.85    2.89
       3.60    3.63
   
      -1473.36556262 
      -1473.36015197 
      -1473.36375907 
   
  
  
       3.61    3.64
       4.34    4.36
   
       -532.60899929 
       -532.58586144 
       -532.60128667 
   
  
  
       3.41    3.44
       4.13    4.16
   
       -647.09091442 
       -647.11156309 
       -647.09779731 
   
  
  
       3.33    3.36
       4.07    4.10
   
      -1338.83146120 
      -1338.82886961 
      -1338.83059734 
   
  
  
       2.96    2.99
       3.70    3.73
   
      -6578.01207265 
      -6578.01754428 
      -6578.01389653 
   
  
  
       2.88    2.91
       3.59    3.61
   
      -1730.02010143 
      -1730.04404608 
      -1730.02808298 
   
  
  
       3.05    3.08
       3.78    3.80
   
     -19684.22106914 
     -19684.23983764 
     -19684.22732531 
   
  
  
       2.87    2.90
       3.62    3.65
   
      -2256.63225638 
      -2256.62199830 
      -2256.62883702 
   
  
  
       2.95    2.98
       3.73    3.76
   
     -16937.76270946 
     -16937.72895691 
     -16937.75145861 
   
  
  
       2.92    2.94
       3.68    3.70
   
      -4587.74428871 
      -4587.76196357 
      -4587.75018033 
   
  
  
       2.93    2.95
       3.64    3.67
   
     -22428.45111027 
     -22428.48814563 
     -22428.46345539 
   
  
  
       2.79    2.83
       3.52    3.56
   
     -20189.34288012 
     -20189.34139369 
     -20189.34238464 
   
  
  
       3.05    3.07
       3.80    3.82
   
     -25631.72257948 
     -25631.73351616 
     -25631.72622504 
   
  
  
       3.00    3.03
       3.73    3.76
   
     -31606.78692667 
     -31606.80347147 
     -31606.79244160 
   
  
  
       3.07    3.09
       3.79    3.81
   
     -95921.27823296 
     -95921.26499531 
     -95921.27382041 
   
  
  
       2.86    2.89
       3.55    3.59
   
     -44416.61554500 
     -44416.58628358 
     -44416.60579119 
   
  
  
       2.56    2.59
       3.29    3.32
   
    -303946.60875628 
    -303946.57965960 
    -303946.59905738 
   
  
  
       2.69    2.72
       3.42    3.46
   
    -345031.44294055 
    -345031.44012906 
    -345031.44200338 
   
  
  
       2.67    2.70
       3.42    3.44
   
      -3657.85002404 
      -3657.87632329 
      -3657.85879046 
   
  
  
       2.92    2.95
       3.67    3.70
   
     -72991.65587018 
     -72991.64483230 
     -72991.65219089 
   
  
  
       2.75    2.79
       3.48    3.52
   
    **************** 
    **************** 
    **************** 
   
  
  
       3.04    3.07
       3.76    3.80
   
    -150121.52435505 
    -150121.52005314 
    -150121.52292108 
   
  
  
       2.92    2.96
       3.66    3.70
   
    -478745.41268335 
    -478745.42768773 
    -478745.41768481 
   
  
  
       3.55    3.58
       4.30    4.33
   
    **************** 
    **************** 
    **************** 
   
  
  
       3.30    3.34
       4.05    4.10
   
     -20133.12840151 
     -20133.13604644 
     -20133.13094982 
   
  
  
       3.31    3.35
       4.04    4.08
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.70    2.74
       3.43    3.47
   
    **************** 
    **************** 
    ****************