vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  06:03:44 
 
 
  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 
    
   
   
           0.17260099       0.65691938       0.96175989 
           0.23547233       0.87868544       0.21822323 
           0.96700046       0.25574388       0.80333455 
           0.57251506       0.94236060       0.75346397 
           0.87698456       0.58041011       0.16520719 
           0.67677511       0.84091233       0.55248205 
           0.01423117       0.60710158       0.61589799 
           0.59046872       0.27631297       0.44365711 
           0.65938767       0.92457302       0.14616432 
           0.02330224       0.68464166       0.90046935 
           0.19604072       0.22085951       0.84423041 
           0.10291300       0.35725249       0.78493960 
           0.30500123       0.19493593       0.87861959 
           0.21572626       0.32088530       0.87781792 
           0.32585312       0.48102427       0.72449379 
           0.30815312       0.18031608       0.64499297 
           0.84392962       0.10176210       0.39619800 
           0.92607925       0.35757333       0.76826967 
           0.32652730       0.96862975       0.41559144 
           0.38075131       0.81088936       0.93434386 
           0.18063434       0.29443023       0.88884518 
           0.51554755       0.46848446       0.75677155 
           0.10772876       0.09463723       0.77854706 
           0.69258932       0.98135272       0.51589987 
           0.68416848       0.80281994       0.39410047 
           0.70221392       0.30755677       0.74002779 
           0.03143869       0.63663538       0.54113524 
           0.77681033       0.17107789       0.94963955 
           0.08720715       0.61725612       0.57487794 
           0.57646532       0.43759975       0.30484953 
           0.07824672       0.18585748       0.53354314 
           0.25865222       0.13787421       0.78246080 
           0.32092137       0.80798261       0.41592095 
           0.33575199       0.15057519       0.44054366 
           0.15403041       0.95091896       0.23379318 
   
  
  
           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 
   
  
  
          0.17260099       0.65691938       0.96175989 
          0.23547233       0.87868544       0.21822323 
          0.96700046       0.25574388       0.80333455 
          0.57251506       0.94236060       0.75346397 
          0.87698456       0.58041011       0.16520719 
          0.67677511       0.84091233       0.55248205 
          0.01423117       0.60710158       0.61589799 
          0.59046872       0.27631297       0.44365711 
          0.65938767       0.92457302       0.14616432 
          0.02330224       0.68464166       0.90046935 
          0.19604072       0.22085951       0.84423041 
          0.10291300       0.35725249       0.78493960 
          0.30500123       0.19493593       0.87861959 
          0.21572626       0.32088530       0.87781792 
          0.32585312       0.48102427       0.72449379 
          0.30815312       0.18031608       0.64499297 
          0.84392962       0.10176210       0.39619800 
          0.92607925       0.35757333       0.76826967 
          0.32652730       0.96862975       0.41559144 
          0.38075131       0.81088936       0.93434386 
          0.18063434       0.29443023       0.88884518 
          0.51554755       0.46848446       0.75677155 
          0.10772876       0.09463723       0.77854706 
          0.69258932       0.98135272       0.51589987 
          0.68416848       0.80281994       0.39410047 
          0.70221392       0.30755677       0.74002779 
          0.03143869       0.63663538       0.54113524 
          0.77681033       0.17107789       0.94963955 
          0.08720715       0.61725612       0.57487794 
          0.57646532       0.43759975       0.30484953 
          0.07824672       0.18585748       0.53354314 
          0.25865222       0.13787421       0.78246080 
          0.32092137       0.80798261       0.41592095 
          0.33575199       0.15057519       0.44054366 
          0.15403041       0.95091896       0.23379318 
  
 
 
  
       6.06    6.15
       6.58    6.66
   
         24.76344702 
        164.31672954 
      -2613.65976868 
       -288.37254502 
       3170.77583059 
      -2609.60722799 
          0.00379567 
       -263.09753543 
       3755.32434067 
       1340.44706639 
       1340.44327072 
       1340.44580116 
   
  
  
       7.79    7.86
       7.79    7.86
   
        599.15439626 
        599.16700571 
        599.15859941 
   
  
  
       9.69    9.75
       9.69    9.75
   
        388.18950115 
        388.19897795 
        388.19266008 
   
  
  
       8.54    8.59
       8.54    8.60
   
        366.75635946 
        366.77943834 
        366.76405242 
   
  
  
       8.34    8.40
       8.45    8.51
   
        365.47112105 
        365.53469115 
        365.49231108 
   
  
  
       8.77    8.83
       9.33    9.39
   
        427.57661160 
        427.57243553 
        427.57521957 
   
  
  
       8.70    8.76
       9.27    9.33
   
        489.48093746 
        489.49629118 
        489.48605537 
   
  
  
       7.79    7.85
       8.36    8.41
   
        508.70837239 
        508.71084300 
        508.70919592 
   
  
  
       8.00    8.07
       8.56    8.65
   
        496.46218449 
        496.48024653 
        496.46820517 
   
  
  
       7.68    7.76
       8.24    8.32
   
        518.45146804 
        518.48984437 
        518.46426015 
   
  
  
       7.68    7.74
       8.24    8.30
   
        514.86930970 
        514.83012283 
        514.85624741 
   
  
  
       7.68    7.74
       8.24    8.30
   
        505.69232785 
        505.70169790 
        505.69545120 
   
  
  
       7.04    7.10
       7.59    7.66
   
        436.75351128 
        436.75404290 
        436.75368849 
   
  
  
       6.75    6.82
       7.31    7.39
   
        465.45504953 
        465.44637846 
        465.45215917 
   
  
  
       7.32    7.38
       7.88    7.95
   
        409.82428733 
        409.82968034 
        409.82608500 
   
  
  
       6.68    6.74
       7.24    7.30
   
        405.56697557 
        405.52527807 
        405.55307641 
   
  
  
       7.25    7.31
       7.83    7.89
   
        403.94265403 
        403.90915524 
        403.93148777 
   
  
  
       6.81    6.86
       7.38    7.44
   
        483.44746881 
        483.47142126 
        483.45545296 
   
  
  
       8.33    8.39
       8.91    8.98
   
        561.90567619 
        561.91670091 
        561.90935110 
   
  
  
       7.84    7.90
       8.41    8.47
   
        490.94140652 
        490.94579367 
        490.94286890 
   
  
  
       7.56    7.62
       8.13    8.19
   
        473.05467474 
        473.07748495 
        473.06227814 
   
  
  
       7.63    7.68
       8.20    8.26
   
        463.46595578 
        463.48259466 
        463.47150207