vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  22:41:03 
 
 
  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 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.91818444       0.53068180       0.10591536 
           0.85646305       0.23556839       0.42205401 
           0.12553244       0.44937407       0.19765781 
           0.10823779       0.28965314       0.34093199 
           0.82055830       0.33524503       0.01941190 
           0.96109765       0.42723982       0.52652643 
           0.08363743       0.33433714       0.13740146 
           0.20037811       0.40867351       0.39129032 
           0.85012215       0.54386218       0.49464770 
           0.77499806       0.24521258       0.87650842 
           0.02608692       0.52348300       0.66975590 
           0.02421285       0.20576475       0.76687157 
           0.90110647       0.31016553       0.59485263 
           0.85047047       0.44792249       0.94392251 
           0.14508254       0.32384896       0.73464711 
           0.09972142       0.43791719       0.81655290 
           0.40446680       0.47081437       0.11984052 
           0.39378766       0.27900035       0.42149186 
           0.68692100       0.47935272       0.19730881 
           0.65804538       0.32840745       0.35709268 
           0.33322638       0.32508587       0.01289722 
           0.43730869       0.43530954       0.51606404 
           0.57038342       0.35272341       0.14581541 
           0.68924564       0.41834413       0.39611701 
           0.24810916       0.51815338       0.52960986 
           0.28441422       0.23427474       0.87114763 
           0.65227857       0.56941550       0.65741653 
           0.53900357       0.21295544       0.75003397 
           0.40513620       0.32370183       0.61983387 
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           0.66969985       0.33830339       0.73304503 
           0.62778719       0.46355957       0.78822600 
           0.71433587       0.62959528       0.75738294 
           0.53085386       0.64542231       0.56469585 
           0.48558681       0.60139396       0.60265593 
   
  
  
           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 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
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          0.00000000       0.00000000       0.50000000 
          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
        -0.02000000
        0
         0.50000000
        -3.00000000
         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 
   
  
  
          0.91818444       0.53068180       0.10591536 
          0.85646305       0.23556839       0.42205401 
          0.12553244       0.44937407       0.19765781 
          0.10823779       0.28965314       0.34093199 
          0.82055830       0.33524503       0.01941190 
          0.96109765       0.42723982       0.52652643 
          0.08363743       0.33433714       0.13740146 
          0.20037811       0.40867351       0.39129032 
          0.85012215       0.54386218       0.49464770 
          0.77499806       0.24521258       0.87650842 
          0.02608692       0.52348300       0.66975590 
          0.02421285       0.20576475       0.76687157 
          0.90110647       0.31016553       0.59485263 
          0.85047047       0.44792249       0.94392251 
          0.14508254       0.32384896       0.73464711 
          0.09972142       0.43791719       0.81655290 
          0.40446680       0.47081437       0.11984052 
          0.39378766       0.27900035       0.42149186 
          0.68692100       0.47935272       0.19730881 
          0.65804538       0.32840745       0.35709268 
          0.33322638       0.32508587       0.01289722 
          0.43730869       0.43530954       0.51606404 
          0.57038342       0.35272341       0.14581541 
          0.68924564       0.41834413       0.39611701 
          0.24810916       0.51815338       0.52960986 
          0.28441422       0.23427474       0.87114763 
          0.65227857       0.56941550       0.65741653 
          0.53900357       0.21295544       0.75003397 
          0.40513620       0.32370183       0.61983387 
          0.37897978       0.43390926       0.91226907 
          0.66969985       0.33830339       0.73304503 
          0.62778719       0.46355957       0.78822600 
          0.71433587       0.62959528       0.75738294 
          0.53085386       0.64542231       0.56469585 
          0.48558681       0.60139396       0.60265593 
  
 
 
  
      10.52   10.55
      11.63   11.65
   
         24.76344702 
       8901.54160521 
     -12179.82656311 
       -264.37061285 
       3167.08814863 
      -2605.71786812 
          0.00390373 
       -199.22309943 
       3755.32434067 
        599.58330174 
        599.57939802 
        599.58200050 
   
  
  
      15.77   15.78
      15.77   15.78
   
        -89.07181133 
        -89.06807315 
        -89.07056527 
   
  
  
      15.04   15.08
      15.04   15.09
   
       -161.76451040 
       -161.77189977 
       -161.76697352 
   
  
  
      15.25   15.30
      15.25   15.30
   
       -164.34078396 
       -164.35200191 
       -164.34452327 
   
  
  
      16.68   16.70
      16.83   16.85
   
       -164.47139162 
       -164.48270730 
       -164.47516352 
   
  
  
      12.03   12.09
      12.90   12.96
   
       -138.94783417 
       -138.93311599 
       -138.94292811 
   
  
  
      13.54   13.58
      14.41   14.45
   
       -137.57147025 
       -137.56579401 
       -137.56957817 
   
  
  
      15.27   15.30
      16.17   16.21
   
       -139.38289403 
       -139.37706899 
       -139.38095235 
   
  
  
      14.55   14.58
      15.43   15.46
   
       -144.47189527 
       -144.46918191 
       -144.47099082 
   
  
  
      14.00   14.05
      14.89   14.95
   
       -147.98876475 
       -147.99014347 
       -147.98922432 
   
  
  
      13.57   13.61
      14.44   14.49
   
       -157.70071649 
       -157.68917764 
       -157.69687020 
   
  
  
      13.58   13.63
      14.43   14.48
   
       -163.29900284 
       -163.29337502 
       -163.29712690 
   
  
  
      14.67   14.72
      15.60   15.65
   
       -164.90681305 
       -164.91942752 
       -164.91101787 
   
  
  
      13.08   13.11
      13.90   13.94
   
       -166.83881921 
       -166.88354372 
       -166.85372738 
   
  
  
      14.54   14.58
      15.44   15.48
   
       -167.70286109 
       -167.75073227 
       -167.71881815 
   
  
  
      13.64   13.68
      14.48   14.52
   
       -168.07380324 
       -168.12110468 
       -168.08957039 
   
  
  
      13.53   13.58
      14.51   14.56
   
       -168.36417194 
       -168.41092762 
       -168.37975717 
   
  
  
      14.67   14.72
      15.77   15.82
   
       -168.53655109 
       -168.58309481 
       -168.55206566 
   
  
  
      14.22   14.26
      15.22   15.27
   
       -168.59042880 
       -168.63711478 
       -168.60599079