vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  08:01:34 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
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  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 
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           0.92321385       0.52809804       0.10643852 
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           0.13372372       0.45024294       0.19730292 
           0.09987318       0.28665410       0.33696055 
           0.82137381       0.33334216       0.02688507 
           0.95870712       0.42265224       0.51896648 
           0.08504758       0.33491065       0.13868867 
           0.19956518       0.40657657       0.38983321 
           0.83403886       0.54697888       0.52045345 
           0.77454857       0.24478610       0.88175630 
           0.06007824       0.51123023       0.65346562 
           0.02176810       0.20696264       0.76442394 
           0.90319857       0.31194335       0.59574281 
           0.86416894       0.44386024       0.95280813 
           0.14338499       0.32445515       0.73656176 
           0.10019766       0.43545832       0.81866503 
           0.41483002       0.47002476       0.12074027 
           0.37325631       0.28346899       0.42301582 
           0.68742962       0.47789652       0.20404101 
           0.64704283       0.31334171       0.34377048 
           0.33252202       0.32212881       0.01439406 
           0.43488694       0.43601302       0.52036577 
           0.56975208       0.35205117       0.14647379 
           0.69417007       0.43054859       0.40224430 
           0.30936969       0.55137645       0.54084873 
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           0.53940880       0.21010955       0.75412477 
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           0.62921096       0.43929514       0.81262260 
           0.64804413       0.68652510       0.62748727 
           0.63523239       0.69336643       0.56368115 
           0.44529297       0.58046663       0.65802184 
   
  
  
           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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         0.00010000
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        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 
   
  
  
          0.92321385       0.52809804       0.10643852 
          0.85766083       0.23482121       0.42948594 
          0.13372372       0.45024294       0.19730292 
          0.09987318       0.28665410       0.33696055 
          0.82137381       0.33334216       0.02688507 
          0.95870712       0.42265224       0.51896648 
          0.08504758       0.33491065       0.13868867 
          0.19956518       0.40657657       0.38983321 
          0.83403886       0.54697888       0.52045345 
          0.77454857       0.24478610       0.88175630 
          0.06007824       0.51123023       0.65346562 
          0.02176810       0.20696264       0.76442394 
          0.90319857       0.31194335       0.59574281 
          0.86416894       0.44386024       0.95280813 
          0.14338499       0.32445515       0.73656176 
          0.10019766       0.43545832       0.81866503 
          0.41483002       0.47002476       0.12074027 
          0.37325631       0.28346899       0.42301582 
          0.68742962       0.47789652       0.20404101 
          0.64704283       0.31334171       0.34377048 
          0.33252202       0.32212881       0.01439406 
          0.43488694       0.43601302       0.52036577 
          0.56975208       0.35205117       0.14647379 
          0.69417007       0.43054859       0.40224430 
          0.30936969       0.55137645       0.54084873 
          0.27997511       0.23456070       0.87015485 
          0.59490091       0.51915969       0.64946659 
          0.53940880       0.21010955       0.75412477 
          0.40071463       0.32678001       0.62174843 
          0.36888533       0.43039059       0.92089148 
          0.66998625       0.32819545       0.72936062 
          0.62921096       0.43929514       0.81262260 
          0.64804413       0.68652510       0.62748727 
          0.63523239       0.69336643       0.56368115 
          0.44529297       0.58046663       0.65802184 
  
 
 
  
      12.40   12.42
      14.06   14.07
   
         24.76344702 
       9061.80646650 
     -12341.43230460 
       -264.00092166 
       3167.08814863 
      -2605.71786812 
         -0.01065909 
       -197.21458489 
       3755.32434067 
        600.60606446 
        600.61672356 
        600.60961750 
   
  
  
      15.49   15.52
      15.49   15.52
   
        -88.20438306 
        -88.19386688 
        -88.20087767 
   
  
  
      14.88   14.95
      14.88   14.95
   
       -162.12495101 
       -162.10690997 
       -162.11893733 
   
  
  
      15.41   15.45
      15.41   15.45
   
       -165.13480079 
       -165.11488628 
       -165.12816262 
   
  
  
      16.28   16.31
      16.48   16.51
   
       -165.28447752 
       -165.26458184 
       -165.27784563 
   
  
  
      15.88   15.92
      17.68   17.72
   
     -12492.44807979 
     -12492.45392725 
     -12492.45002895 
   
  
  
      13.18   13.21
      14.01   14.04
   
       -111.00111310 
       -111.01269089 
       -111.00497237 
   
  
  
      15.41   15.43
      16.25   16.27
   
       -138.46330300 
       -138.45159948 
       -138.45940182 
   
  
  
      14.74   14.76
      15.61   15.63
   
       -141.67299368 
       -141.65150683 
       -141.66583139 
   
  
  
      13.83   13.86
      14.69   14.72
   
       -142.46149467 
       -142.43639772 
       -142.45312902 
   
  
  
      17.06   17.08
      17.98   18.00
   
       -575.92831570 
       -575.94861964 
       -575.93508368 
   
  
  
      14.65   14.66
      15.58   15.60
   
       -154.58321600 
       -154.55693540 
       -154.57445580 
   
  
  
      12.75   12.77
      13.64   13.66
   
       -139.07316760 
       -139.03358904 
       -139.05997475 
   
  
  
      15.18   15.20
      16.07   16.09
   
       -151.16154926 
       -151.14283664 
       -151.15531172 
   
  
  
      14.48   14.50
      15.42   15.45
   
       -150.56556724 
       -150.56397398 
       -150.56503615 
   
  
  
      14.08   14.10
      14.98   15.00
   
       -162.63561412 
       -162.63816690 
       -162.63646505 
   
  
  
      17.17   17.20
      18.04   18.07
   
     -12362.45979262 
     -12362.46955491 
     -12362.46304671 
   
  
  
      13.01   13.03
      13.87   13.89
   
       -144.46405422 
       -144.44252681 
       -144.45687842 
   
  
  
      14.57   14.59
      15.45   15.47
   
       -165.85782876 
       -165.88320821 
       -165.86628857 
   
  
  
      14.63   14.65
      15.45   15.47
   
       -170.60507440 
       -170.63638115 
       -170.61550998 
   
  
  
      14.79   14.81
      15.60   15.61
   
       -172.34712123 
       -172.37530600 
       -172.35651616 
   
  
  
      13.95   13.98
      14.86   14.89
   
       -169.65826702 
       -169.68468182 
       -169.66707196 
   
  
  
      17.41   17.43
      18.28   18.31
   
      -7191.98758109 
      -7191.99316916 
      -7191.98944378 
   
  
  
      13.45   13.48
      14.29   14.32
   
       -157.64200174 
       -157.62469615 
       -157.63623321 
   
  
  
      14.52   14.54
      15.37   15.39
   
       -170.45472571 
       -170.48357549 
       -170.46434230 
   
  
  
      14.13   14.15
      14.96   14.99
   
       -173.57428706 
       -173.59975084 
       -173.58277499 
   
  
  
      14.41   14.43
      15.26   15.28
   
       -173.27151522 
       -173.29728176 
       -173.28010406 
   
  
  
      11.04   11.07
      11.92   11.95
   
       -173.73814984 
       -173.76393026 
       -173.74674331 
   
  
  
       9.40    9.43
      10.37   10.40
   
       -166.39119527 
       -166.35403677 
       -166.37880910 
   
  
  
       9.93    9.96
      10.80   10.83
   
       -175.97313727 
       -175.99908361 
       -175.98178605 
   
  
  
       5.40    5.43
       6.18    6.21
   
       -173.91750840 
       -173.94330375 
       -173.92610685 
   
  
  
       5.73    5.79
       6.62    6.68
   
       -173.80291100 
       -173.82872930 
       -173.81151710 
   
  
  
       4.55    4.58
       5.33    5.36
   
       -173.01228397 
       -173.03811439 
       -173.02089411 
   
  
  
       2.95    2.98
       3.79    3.83
   
       -174.05329117 
       -174.07911305 
       -174.06189846 
   
  
  
       2.78    2.82
       3.64    3.67
   
       -173.87367579 
       -173.89953493 
       -173.88229550 
   
  
  
       2.75    2.78
       3.51    3.54
   
       -174.02057566 
       -174.04650325 
       -174.02921819 
   
  
  
       2.54    2.56
       3.25    3.27
   
       -176.20548236 
       -176.23146135 
       -176.21414203 
   
  
  
       2.48    2.50
       3.18    3.20
   
       -175.46879682 
       -175.49477083 
       -175.47745482 
   
  
  
       2.78    2.80
       3.52    3.54
   
       -178.29027944 
       -178.31631119 
       -178.29895669 
   
  
  
       2.28    2.31
       3.02    3.04
   
       -174.24131789 
       -174.26727421 
       -174.24996999 
   
  
  
       2.44    2.46
       3.16    3.18
   
       -174.03313921 
       -174.05913922 
       -174.04180588 
   
  
  
       2.76    2.79
       3.48    3.52
   
       -173.97708967 
       -174.00309751 
       -173.98575895 
   
  
  
       2.60    2.62
       3.32    3.35
   
       -173.72616380 
       -173.75218303 
       -173.73483688 
   
  
  
       3.31    3.34
       4.03    4.07
   
       -186.99074368 
       -186.99923844 
       -186.99357527 
   
  
  
       2.60    2.65
       3.33    3.38
   
       -163.90763004 
       -163.88557298 
       -163.90027769 
   
  
  
       3.14    3.17
       3.87    3.90
   
     -78545.65357354 
     -78545.65208050 
     -78545.65307586 
   
  
  
       2.44    2.47
       3.16    3.19
   
       -129.70079855 
       -129.69546159 
       -129.69901957 
   
  
  
       2.72    2.75
       3.46    3.49
   
       -167.93653367 
       -167.93344132 
       -167.93550288 
   
  
  
       3.07    3.10
       3.81    3.83
   
     -19946.44226531 
     -19946.43786781 
     -19946.44079948 
   
  
  
       2.78    2.82
       3.53    3.57
   
       -183.59397384 
       -183.57470230 
       -183.58755000 
   
  
  
       2.94    2.96
       3.67    3.69
   
       -200.31808895 
       -200.35327004 
       -200.32981598 
   
  
  
       3.08    3.11
       3.81    3.83
   
       -228.11603957 
       -228.10334522 
       -228.11180812 
   
  
  
       3.19    3.22
       3.96    3.99
   
       -258.95985806 
       -258.93953126 
       -258.95308246 
   
  
  
       3.13    3.17
       3.88    3.92
   
       -241.77047613 
       -241.75203433 
       -241.76432887 
   
  
  
       2.76    2.79
       3.51    3.54
   
       -356.33870178 
       -356.31536476 
       -356.33092277 
   
  
  
       2.67    2.72
       3.42    3.47
   
      -2074.52626291 
      -2074.50772322 
      -2074.52008301 
   
  
  
       2.69    2.73
       3.43    3.48
   
       -531.40654095 
       -531.39027878 
       -531.40112023 
   
  
  
       2.94    2.97
       3.68    3.71
   
      -3869.35169167 
      -3869.33513362 
      -3869.34617232 
   
  
  
       3.13    3.16
       3.85    3.88
   
      -4349.23586350 
      -4349.22308531 
      -4349.23160410 
   
  
  
       2.70    2.74
       3.43    3.47
   
      -1243.80225052 
      -1243.77234902 
      -1243.79228335 
   
  
  
       2.79    2.81
       3.51    3.54
   
     -16939.90728564 
     -16939.91867692 
     -16939.91108274 
   
  
  
       2.68    2.72
       3.41    3.45
   
    -194235.01787722 
    -194235.01859574 
    -194235.01811673 
   
  
  
       2.80    2.82
       3.53    3.55
   
     -16021.46378709 
     -16021.43552468 
     -16021.45436628 
   
  
  
       2.76    2.79
       3.49    3.53
   
     -86110.37054588 
     -86110.36803689 
     -86110.36970955 
   
  
  
       2.77    2.80
       3.51    3.54
   
     -12245.02299199 
     -12245.01010657 
     -12245.01869685 
   
  
  
       2.60    2.63
       3.33    3.35
   
    -279153.59028029 
    -279153.56700626 
    -279153.58252228 
   
  
  
       2.75    2.78
       3.48    3.52
   
      -5965.15571749 
      -5965.14940478 
      -5965.15361326 
   
  
  
       2.65    2.69
       3.39    3.43
   
    -207418.01666878 
    -207417.99003698 
    -207418.00779152 
   
  
  
       2.79    2.82
       3.53    3.56
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.68    2.73
       3.41    3.46
   
    -538854.76485197 
    -538854.74238145 
    -538854.75736180 
   
  
  
       2.84    2.87
       3.57    3.60
   
    -113250.01479205 
    -113250.00583671 
    -113250.01180694 
   
  
  
       2.66    2.70
       3.38    3.42
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.61    2.66
       3.34    3.39
   
    -409320.57814773 
    -409320.60890036 
    -409320.58839860 
   
  
  
       2.68    2.73
       3.42    3.48
   
     -22599.20218318 
     -22599.20842694 
     -22599.20426443 
   
  
  
       2.72    2.75
       3.47    3.50
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.71    2.73
       3.43    3.45
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.74    2.76
       3.47    3.49
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.95    2.98
       3.68    3.71
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.83    2.85
       3.56    3.58
   
    **************** 
    **************** 
    **************** 
   
  
  
       3.09    3.12
       3.83    3.87
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.99    3.00
       3.70    3.72
   
    **************** 
    **************** 
    **************** 
   
  
  
       3.27    3.29
       3.99    4.01
   
    **************** 
    **************** 
    **************** 
   
  
  
       3.30    3.32
       4.02    4.04
   
    **************** 
    **************** 
    **************** 
   
  
  
       3.31    3.33
       4.03    4.05
   
    **************** 
    **************** 
    **************** 
   
  
  
       3.21    3.24
       3.93    3.96
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.99    3.03
       3.73    3.76
   
    **************** 
    **************** 
    ****************