vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 30 
  22:58:50 
 
 
  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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           0.91782458       0.52321634       0.10622374 
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           0.14360623       0.45490249       0.18898286 
           0.10856743       0.28575884       0.33771683 
           0.82817772       0.33140570       0.02844197 
           0.95354637       0.42181017       0.51484770 
           0.08851447       0.33523876       0.14270653 
           0.19367764       0.41083821       0.38266766 
           0.82723140       0.54690912       0.53336029 
           0.77829978       0.24494462       0.87987694 
           0.06954664       0.50942345       0.64852412 
           0.02487136       0.20805186       0.76094374 
           0.90455649       0.31253225       0.59905505 
           0.86710415       0.44158313       0.95087117 
           0.15052088       0.32581970       0.73399248 
           0.10752233       0.43612232       0.81971656 
           0.41824949       0.48359128       0.11939004 
           0.36850359       0.27220931       0.42765478 
           0.67618359       0.47561958       0.20399899 
           0.63441107       0.30461558       0.34595444 
           0.33436967       0.32353571       0.01805753 
           0.43325603       0.43674274       0.51138022 
           0.57699300       0.34275190       0.14777604 
           0.69465494       0.44248356       0.40403017 
           0.33801949       0.55014135       0.56630347 
           0.27663341       0.23807838       0.87075730 
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           0.64654550       0.67340525       0.68255212 
           0.61286757       0.69133705       0.51213916 
           0.41437081       0.58750585       0.59899341 
   
  
  
           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       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          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
      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
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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
  
  
        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
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        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 
   
  
  
          0.91782458       0.52321634       0.10622374 
          0.86106140       0.23838985       0.43031188 
          0.14360623       0.45490249       0.18898286 
          0.10856743       0.28575884       0.33771683 
          0.82817772       0.33140570       0.02844197 
          0.95354637       0.42181017       0.51484770 
          0.08851447       0.33523876       0.14270653 
          0.19367764       0.41083821       0.38266766 
          0.82723140       0.54690912       0.53336029 
          0.77829978       0.24494462       0.87987694 
          0.06954664       0.50942345       0.64852412 
          0.02487136       0.20805186       0.76094374 
          0.90455649       0.31253225       0.59905505 
          0.86710415       0.44158313       0.95087117 
          0.15052088       0.32581970       0.73399248 
          0.10752233       0.43612232       0.81971656 
          0.41824949       0.48359128       0.11939004 
          0.36850359       0.27220931       0.42765478 
          0.67618359       0.47561958       0.20399899 
          0.63441107       0.30461558       0.34595444 
          0.33436967       0.32353571       0.01805753 
          0.43325603       0.43674274       0.51138022 
          0.57699300       0.34275190       0.14777604 
          0.69465494       0.44248356       0.40403017 
          0.33801949       0.55014135       0.56630347 
          0.27663341       0.23807838       0.87075730 
          0.60530279       0.52545177       0.67798074 
          0.53801755       0.21047884       0.76038187 
          0.40153094       0.32738051       0.61160029 
          0.36990169       0.43328671       0.93044629 
          0.66344550       0.32719017       0.72604250 
          0.62757476       0.43591972       0.81821331 
          0.64654550       0.67340525       0.68255212 
          0.61286757       0.69133705       0.51213916 
          0.41437081       0.58750585       0.59899341 
  
 
 
  
       7.32    7.40
       7.98    8.06
   
         24.76344702 
       9008.57781527 
     -12222.78675687 
       -264.34266633 
       3167.08814863 
      -2605.71786812 
         -0.01036303 
       -204.01780306 
       3755.32434067 
        658.87829419 
        658.88865722 
        658.88174853 
   
  
  
       9.26    9.26
       9.26    9.26
   
        -63.23349935 
        -63.23039930 
        -63.23246600 
   
  
  
       8.25    8.25
       8.25    8.25
   
       -148.38001657 
       -148.36776930 
       -148.37593414 
   
  
  
       9.20    9.20
       9.20    9.20
   
       -151.55032518 
       -151.54023882 
       -151.54696306 
   
  
  
       9.32    9.32
       9.45    9.45
   
       -151.67051234 
       -151.66043399 
       -151.66715289 
   
  
  
       7.39    7.39
       8.28    8.28
   
       -122.00388539 
       -122.00643091 
       -122.00473390 
   
  
  
       7.47    7.47
       8.33    8.33
   
       -114.87983220 
       -114.86611622 
       -114.87526020 
   
  
  
       5.90    5.90
       6.71    6.71
   
       -117.73276938 
       -117.71732087 
       -117.72761988 
   
  
  
       7.27    7.27
       8.09    8.09
   
       -121.11164663 
       -121.10734988 
       -121.11021438 
   
  
  
       6.74    6.75
       7.55    7.56
   
       -125.15093862 
       -125.15880180 
       -125.15355968 
   
  
  
       7.11    7.11
       7.92    7.92
   
       -133.73728659 
       -133.74653043 
       -133.74036787 
   
  
  
       7.59    7.59
       8.40    8.40
   
       -138.39450088 
       -138.39183257 
       -138.39361144 
   
  
  
       7.48    7.48
       8.32    8.32
   
       -142.27287332 
       -142.27073179 
       -142.27215948 
   
  
  
       7.72    7.72
       8.55    8.55
   
       -143.23959075 
       -143.23451437 
       -143.23789862 
   
  
  
       7.85    7.86
       8.70    8.70
   
       -143.73284393 
       -143.72420777 
       -143.72996521 
   
  
  
       7.67    7.67
       8.49    8.50
   
       -144.01411702 
       -144.00577641 
       -144.01133682 
   
  
  
       8.38    8.38
       9.23    9.23
   
       -144.16201477 
       -144.15468330 
       -144.15957094 
   
  
  
       8.34    8.34
       9.16    9.16
   
       -144.25399193 
       -144.24826221 
       -144.25208202 
   
  
  
       8.27    8.27
       9.09    9.09
   
       -144.31479134 
       -144.31100962 
       -144.31353077 
   
  
  
       8.11    8.11
       8.94    8.94
   
       -144.35199079 
       -144.34887789 
       -144.35095316 
   
  
  
       7.50    7.50
       8.33    8.33
   
       -144.42923228 
       -144.42792015 
       -144.42879490 
   
  
  
       7.92    7.92
       8.75    8.76
   
       -144.50866440 
       -144.50926768 
       -144.50886549 
   
  
  
       8.08    8.08
       8.90    8.90
   
       -144.58476854 
       -144.58701307 
       -144.58551672 
   
  
  
       8.31    8.31
       9.14    9.14
   
       -144.61430243 
       -144.61701095 
       -144.61520527 
   
  
  
       7.77    7.77
       8.60    8.60
   
       -144.62886752 
       -144.63169884 
       -144.62981129 
   
  
  
       7.60    7.60
       8.44    8.45
   
       -144.58758702 
       -144.58973511 
       -144.58830305 
   
  
  
       7.86    7.87
       8.72    8.72
   
       -144.56579494 
       -144.56804024 
       -144.56654337 
   
  
  
       7.54    7.54
       8.39    8.39
   
       -144.51333958 
       -144.51553629 
       -144.51407182 
   
  
  
       7.58    7.58
       8.44    8.44
   
       -144.41138609 
       -144.41330100 
       -144.41202439 
   
  
  
       8.07    8.07
       8.93    8.93
   
       -144.38172830 
       -144.38353183 
       -144.38232948 
   
  
  
       6.24    6.25
       7.11    7.11
   
       -144.32059175 
       -144.32222959 
       -144.32113770 
   
  
  
       8.03    8.03
       8.90    8.90
   
       -144.30710297 
       -144.30872204 
       -144.30764266 
   
  
  
       6.37    6.37
       7.22    7.23
   
       -144.30765959 
       -144.30927747 
       -144.30819889 
   
  
  
       4.54    4.54
       5.40    5.40
   
       -144.30698756 
       -144.30860441 
       -144.30752651 
   
  
  
       3.39    3.39
       4.24    4.25
   
       -144.30796715 
       -144.30956891 
       -144.30850107 
   
  
  
       3.80    3.80
       4.66    4.66
   
       -144.35486181 
       -144.35652117 
       -144.35541493 
   
  
  
       3.71    3.71
       4.56    4.56
   
       -144.49970879 
       -144.50155484 
       -144.50032414 
   
  
  
       3.33    3.33
       4.18    4.18
   
       -144.49600475 
       -144.49821848 
       -144.49674266 
   
  
  
       2.40    2.40
       3.26    3.26
   
       -144.43440614 
       -144.43643915 
       -144.43508381 
   
  
  
       2.74    2.74
       3.58    3.58
   
       -144.33626212 
       -144.33821836 
       -144.33691420 
   
  
  
       2.32    2.32
       3.20    3.20
   
       -144.46945508 
       -144.47140959 
       -144.47010658 
   
  
  
       2.65    2.65
       3.52    3.52
   
       -144.62353300 
       -144.62543043 
       -144.62416548 
   
  
  
       2.86    2.86
       3.76    3.76
   
       -144.71791867 
       -144.71971029 
       -144.71851588 
   
  
  
       2.51    2.51
       3.38    3.38
   
       -144.72256535 
       -144.72449782 
       -144.72320951 
   
  
  
       2.82    2.82
       3.70    3.70
   
       -144.73566483 
       -144.73777958 
       -144.73636974 
   
  
  
       2.78    2.79
       3.66    3.66
   
       -144.74524198 
       -144.74751985 
       -144.74600127 
   
  
  
       2.79    2.79
       3.67    3.67
   
       -144.75801775 
       -144.76043985 
       -144.75882512 
   
  
  
       2.43    2.43
       3.32    3.32
   
       -144.75353063 
       -144.75587607 
       -144.75431244 
   
  
  
       2.10    2.10
       2.99    2.99
   
       -144.75609054 
       -144.75847701 
       -144.75688603 
   
  
  
       2.13    2.13
       2.99    2.99
   
       -144.75824939 
       -144.76065980 
       -144.75905286 
   
  
  
       2.37    2.37
       3.23    3.23
   
       -144.76044246 
       -144.76290212 
       -144.76126235 
   
  
  
       3.19    3.19
       4.08    4.08
   
       -144.75256140 
       -144.75515642 
       -144.75342641 
   
  
  
       1.20    1.20
       2.07    2.07
   
       -144.75832073 
       -144.76090458 
       -144.75918202 
   
  
  
       1.20    1.20
       2.08    2.08
   
       -144.72478196 
       -144.72732146 
       -144.72562846 
   
  
  
       1.25    1.25
       2.12    2.12
   
       -144.68163123 
       -144.68414939 
       -144.68247062 
   
  
  
       1.23    1.23
       2.09    2.10
   
       -144.64734262 
       -144.64986364 
       -144.64818296