vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  11:00:45 
 
 
  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      0.73000000      0.32000000
        0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
  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 
    
   
   
           0.52689652       0.78919271       0.41742061 
           0.80382130       0.29215057       0.06741984 
           0.68109300       0.76030955       0.47388390 
           0.67904552       0.46812780       0.93546695 
           0.59022734       0.12147168       0.53720453 
           0.15974164       0.23644389       0.67855604 
           0.25610569       0.78003334       0.93294060 
           0.91278143       0.67373591       0.38086589 
           0.46658913       0.81911365       0.17892639 
           0.62107420       0.17307160       0.45468898 
           0.32832892       0.65802731       0.09124609 
           0.46033938       0.94586222       0.25783033 
           0.86895030       0.57569134       0.76161672 
           0.98047139       0.86553331       0.99731076 
           0.77280029       0.24054096       0.70361307 
           0.27364775       0.61899694       0.91987430 
           0.54469537       0.16560990       0.72883684 
           0.15845139       0.71608260       0.52452919 
           0.09150893       0.19282066       0.98673191 
           0.85795489       0.56183274       0.46121679 
           0.13989707       0.19229523       0.01162716 
           0.34955025       0.41654394       0.70614672 
           0.21212899       0.98200712       0.58960851 
           0.83171587       0.78470674       0.43540655 
           0.59860840       0.17054869       0.22719909 
           0.17877506       0.81785861       0.21033603 
           0.10896737       0.82482762       0.85274173 
           0.09060685       0.25867631       0.26696994 
           0.33940448       0.51797740       0.19000586 
           0.29509775       0.33619011       0.41214025 
           0.84522345       0.22935210       0.69839441 
           0.75488867       0.29278051       0.59235457 
           0.51740901       0.74910020       0.19464705 
           0.97691844       0.98517972       0.98774876 
           0.22311249       0.87118697       0.68385481 
   
  
  
           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 
          0.50000000       0.00000000       0.00000000 
          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
       88
       -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  
          0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
         -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
           0.00000003
           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      0.73000000      0.32000000
      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
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000      1.00000000
         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
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
    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
    O    2
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           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 
   
  
  
          0.52689652       0.78919271       0.41742061 
          0.80382130       0.29215057       0.06741984 
          0.68109300       0.76030955       0.47388390 
          0.67904552       0.46812780       0.93546695 
          0.59022734       0.12147168       0.53720453 
          0.15974164       0.23644389       0.67855604 
          0.25610569       0.78003334       0.93294060 
          0.91278143       0.67373591       0.38086589 
          0.46658913       0.81911365       0.17892639 
          0.62107420       0.17307160       0.45468898 
          0.32832892       0.65802731       0.09124609 
          0.46033938       0.94586222       0.25783033 
          0.86895030       0.57569134       0.76161672 
          0.98047139       0.86553331       0.99731076 
          0.77280029       0.24054096       0.70361307 
          0.27364775       0.61899694       0.91987430 
          0.54469537       0.16560990       0.72883684 
          0.15845139       0.71608260       0.52452919 
          0.09150893       0.19282066       0.98673191 
          0.85795489       0.56183274       0.46121679 
          0.13989707       0.19229523       0.01162716 
          0.34955025       0.41654394       0.70614672 
          0.21212899       0.98200712       0.58960851 
          0.83171587       0.78470674       0.43540655 
          0.59860840       0.17054869       0.22719909 
          0.17877506       0.81785861       0.21033603 
          0.10896737       0.82482762       0.85274173 
          0.09060685       0.25867631       0.26696994 
          0.33940448       0.51797740       0.19000586 
          0.29509775       0.33619011       0.41214025 
          0.84522345       0.22935210       0.69839441 
          0.75488867       0.29278051       0.59235457 
          0.51740901       0.74910020       0.19464705 
          0.97691844       0.98517972       0.98774876 
          0.22311249       0.87118697       0.68385481 
  
 
 
  
       5.90    5.96
       6.45    6.51
   
         24.76344702 
       -841.31015308 
      -1893.19192698 
       -296.14635834 
       3170.77583059 
      -2609.60722799 
         -0.00280720 
       -186.30828752 
       3755.32434067 
       1124.29685719 
       1124.29966439 
       1124.29779293 
   
  
  
       7.45    7.53
       7.45    7.53
   
        510.73586431 
        510.71597035 
        510.72923299 
   
  
  
       9.27    9.32
       9.27    9.33
   
        379.51011117 
        379.53812833 
        379.51945022 
   
  
  
       8.00    8.06
       8.00    8.06
   
        364.44400177 
        364.47591815 
        364.45464056 
   
  
  
       8.16    8.23
       8.29    8.36
   
        363.79880606 
        363.83681264 
        363.81147492 
   
  
  
       7.94    7.99
       8.54    8.60
   
        400.37051154 
        400.35743874 
        400.36615394 
   
  
  
       7.95    8.00
       8.51    8.57
   
        288.59231415 
        288.59836431 
        288.59433087 
   
  
  
       7.42    7.48
       7.98    8.05
   
        211.24697285 
        211.32081854 
        211.27158808 
   
  
  
       7.71    7.76
       8.27    8.33
   
        206.78952955 
        206.79265173 
        206.79057027 
   
  
  
       7.69    7.75
       8.25    8.31
   
        339.80075022 
        339.88758118 
        339.82969387 
   
  
  
       7.70    7.75
       8.27    8.32
   
        336.00781421 
        336.03995322 
        336.01852721 
   
  
  
       7.09    7.14
       7.64    7.70
   
        341.44184675 
        341.44067190 
        341.44145513 
   
  
  
       7.64    7.71
       8.21    8.27
   
        394.83078436 
        394.86996157 
        394.84384343 
   
  
  
       8.13    8.18
       8.70    8.76
   
        432.91363198 
        432.90830151 
        432.91185516