vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 31 
  19:42:27 
 
 
  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 
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           0.93027368       0.52847238       0.10860060 
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           0.09453939       0.28236328       0.33253430 
           0.81744511       0.33376134       0.02601999 
           0.95691286       0.42149732       0.51767316 
           0.08161735       0.33360010       0.13668811 
           0.19961130       0.40744898       0.39013854 
           0.83054846       0.54579859       0.52069665 
           0.77150756       0.24439773       0.88293746 
           0.06002092       0.51080030       0.65176266 
           0.01338624       0.20554865       0.76196226 
           0.90242799       0.31024531       0.59238394 
           0.86458111       0.44466397       0.95562419 
           0.13764626       0.32371384       0.73669757 
           0.09729619       0.43519524       0.81840398 
           0.42301439       0.46064870       0.12145672 
           0.36418295       0.29260849       0.42113037 
           0.68947428       0.48455735       0.20891649 
           0.64330195       0.31268383       0.34017605 
           0.32578431       0.31789009       0.00965785 
           0.43519813       0.43819872       0.52212396 
           0.56148956       0.34627593       0.14124359 
           0.69207081       0.42953606       0.40045322 
           0.31763112       0.55452322       0.55146898 
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           0.63221070       0.43657687       0.81520177 
           0.65563328       0.69660504       0.62355410 
           0.66364617       0.70950743       0.56210109 
           0.45518191       0.57961380       0.67605173 
   
  
  
           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 
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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
         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 
   
  
  
          0.93027368       0.52847238       0.10860060 
          0.85108004       0.23300528       0.42736327 
          0.13666150       0.44825533       0.19549291 
          0.09453939       0.28236328       0.33253430 
          0.81744511       0.33376134       0.02601999 
          0.95691286       0.42149732       0.51767316 
          0.08161735       0.33360010       0.13668811 
          0.19961130       0.40744898       0.39013854 
          0.83054846       0.54579859       0.52069665 
          0.77150756       0.24439773       0.88293746 
          0.06002092       0.51080030       0.65176266 
          0.01338624       0.20554865       0.76196226 
          0.90242799       0.31024531       0.59238394 
          0.86458111       0.44466397       0.95562419 
          0.13764626       0.32371384       0.73669757 
          0.09729619       0.43519524       0.81840398 
          0.42301439       0.46064870       0.12145672 
          0.36418295       0.29260849       0.42113037 
          0.68947428       0.48455735       0.20891649 
          0.64330195       0.31268383       0.34017605 
          0.32578431       0.31789009       0.00965785 
          0.43519813       0.43819872       0.52212396 
          0.56148956       0.34627593       0.14124359 
          0.69207081       0.42953606       0.40045322 
          0.31763112       0.55452322       0.55146898 
          0.27431511       0.23190738       0.86448522 
          0.60055599       0.51733330       0.65661470 
          0.53842317       0.20989420       0.75115412 
          0.39768995       0.32790995       0.62455219 
          0.36842062       0.42714451       0.91897356 
          0.67167994       0.32648962       0.72759697 
          0.63221070       0.43657687       0.81520177 
          0.65563328       0.69660504       0.62355410 
          0.66364617       0.70950743       0.56210109 
          0.45518191       0.57961380       0.67605173 
  
 
 
  
      12.18   12.19
      14.05   14.07
   
         24.76344702 
       8998.00662219 
     -12279.45473997 
       -264.16209756 
       3167.08814863 
      -2605.71786812 
         -0.00764930 
       -197.01325871 
       3755.32434067 
        598.82694486 
        598.83459415 
        598.82949462 
   
  
  
      15.56   15.57
      15.56   15.57
   
        -88.76381557 
        -88.76179250 
        -88.76314122 
   
  
  
      14.87   14.88
      14.87   14.88
   
       -162.20203991 
       -162.17624888 
       -162.19344290 
   
  
  
      15.29   15.30
      15.29   15.30
   
       -165.24156085 
       -165.21467128 
       -165.23259766 
   
  
  
      16.17   16.20
      16.32   16.36
   
       -165.39601178 
       -165.36910401 
       -165.38704252 
   
  
  
      12.09   12.14
      13.15   13.20
   
       -160.91895983 
       -160.90858495 
       -160.91550154 
   
  
  
      15.08   15.12
      15.96   16.00
   
      -1743.83851923 
      -1743.83208178 
      -1743.83637341 
   
  
  
      14.64   14.69
      15.64   15.71
   
       -131.47665859 
       -131.48476736 
       -131.47936151 
   
  
  
      14.62   14.68
      15.65   15.71
   
       -135.43251282 
       -135.40898724 
       -135.42467096 
   
  
  
      14.37   14.42
      15.45   15.50
   
       -143.49778314 
       -143.47108804 
       -143.48888477 
   
  
  
      14.10   14.15
      15.25   15.31
   
       -151.53114473 
       -151.52923632 
       -151.53050859 
   
  
  
      13.00   13.08
      14.16   14.25
   
       -148.95500410 
       -148.93818420 
       -148.94939747 
   
  
  
      17.03   17.07
      17.91   17.96
   
      -4519.38575370 
      -4519.39948838 
      -4519.39033193 
   
  
  
      13.32   13.36
      14.27   14.31
   
       -141.82415753 
       -141.83039270 
       -141.82623592 
   
  
  
      17.09   17.13
      18.08   18.12
   
      -7022.61509883 
      -7022.62681400 
      -7022.61900388 
   
  
  
      14.32   14.37
      15.22   15.27
   
       -142.16247141 
       -142.18358109 
       -142.16950797 
   
  
  
      15.19   15.21
      16.07   16.10
   
       -157.77281104 
       -157.77593780 
       -157.77385330 
   
  
  
      13.65   13.71
      14.55   14.61
   
       -159.22568745 
       -159.23929914 
       -159.23022468 
   
  
  
      14.09   14.14
      14.98   15.03
   
       -167.06437375 
       -167.08628322 
       -167.07167690 
   
  
  
      14.11   14.17
      15.00   15.06
   
       -170.57287035 
       -170.60238912 
       -170.58270994 
   
  
  
      13.91   13.97
      14.84   14.89
   
       -171.74157479 
       -171.76489484 
       -171.74934814 
   
  
  
      14.15   14.19
      15.16   15.20
   
       -173.13002064 
       -173.15400978 
       -173.13801702 
   
  
  
      13.86   13.90
      14.85   14.89
   
       -173.31430140 
       -173.34030093 
       -173.32296791 
   
  
  
      13.42   13.46
      14.38   14.42
   
       -167.49915114 
       -167.52533343 
       -167.50787857 
   
  
  
      13.27   13.31
      14.31   14.36
   
       -171.11281250 
       -171.13839283 
       -171.12133927 
   
  
  
      13.51   13.56
      14.47   14.52
   
       -174.11632017 
       -174.14180545 
       -174.12481527 
   
  
  
      14.01   14.05
      14.94   14.98
   
       -174.28227228 
       -174.30825271 
       -174.29093242 
   
  
  
      13.08   13.13
      14.26   14.31
   
       -174.72529894 
       -174.75179968 
       -174.73413252 
   
  
  
      10.08   10.14
      11.32   11.37
   
       -174.12159944 
       -174.14835560 
       -174.13051816 
   
  
  
       7.11    7.17
       8.24    8.31
   
       -172.30564281 
       -172.33262331 
       -172.31463631 
   
  
  
       7.16    7.21
       8.09    8.13
   
       -173.83388933 
       -173.86087611 
       -173.84288492 
   
  
  
       6.85    6.89
       7.71    7.75
   
       -172.86065054 
       -172.88762210 
       -172.86964106 
   
  
  
       5.57    5.61
       6.64    6.68
   
       -172.89229574 
       -172.91926718 
       -172.90128622 
   
  
  
       4.65    4.69
       5.63    5.67
   
       -197.00279363 
       -196.96227079 
       -196.98928602 
   
  
  
       4.01    4.05
       4.83    4.87
   
       -172.13187921 
       -172.15869409 
       -172.14081751 
   
  
  
       2.82    2.87
       3.67    3.72
   
       -174.96183099 
       -174.98883420 
       -174.97083206 
   
  
  
       3.02    3.05
       3.76    3.79
   
       -173.91043248 
       -173.93740693 
       -173.91942397 
   
  
  
       3.24    3.27
       3.92    3.95
   
       -204.68741582 
       -204.67674696 
       -204.68385953 
   
  
  
       3.23    3.26
       3.94    3.96
   
      -4735.37649401 
      -4735.35634721 
      -4735.36977841 
   
  
  
       2.71    2.75
       3.41    3.44
   
       -156.83917605 
       -156.82291657 
       -156.83375622 
   
  
  
       2.93    2.96
       3.62    3.65
   
       -174.05214841 
       -174.07759023 
       -174.06062902 
   
  
  
       2.92    2.95
       3.62    3.65
   
       -174.40725166 
       -174.43349850 
       -174.41600061 
   
  
  
       2.87    2.91
       3.57    3.61
   
       -174.15412227 
       -174.18051936 
       -174.16292130 
   
  
  
       2.97    3.00
       3.68    3.72
   
       -174.70696233 
       -174.73346756 
       -174.71579740 
   
  
  
       2.81    2.86
       3.53    3.58
   
       -175.53089168 
       -175.55744311 
       -175.53974216 
   
  
  
       2.70    2.73
       3.42    3.45
   
       -175.41385569 
       -175.44040101 
       -175.42270413 
   
  
  
       2.43    2.46
       3.14    3.18
   
       -168.42358214 
       -168.45017014 
       -168.43244481 
   
  
  
       2.70    2.73
       3.41    3.43
   
       -171.45616467 
       -171.48273097 
       -171.46502011 
   
  
  
       2.78    2.81
       3.52    3.54
   
       -173.57846021 
       -173.60502794 
       -173.58731612 
   
  
  
       3.07    3.11
       3.83    3.87
   
       -171.01995464 
       -171.04649638 
       -171.02880189 
   
  
  
       3.00    3.02
       3.73    3.76
   
       -174.15262184 
       -174.17910770 
       -174.16145046