vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 31 
  15:41:37 
 
 
  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 
    
   
   
           0.92515927       0.52917350       0.10868941 
           0.85817779       0.23372638       0.42924407 
           0.13310211       0.44959728       0.19702587 
           0.10103384       0.28483743       0.33385531 
           0.81975611       0.33553315       0.02578534 
           0.95556795       0.42292389       0.51654194 
           0.08364350       0.33496300       0.13669266 
           0.19903325       0.40665794       0.39023097 
           0.82924901       0.54915751       0.51691590 
           0.77333721       0.24587159       0.88327478 
           0.05529647       0.51199725       0.65005734 
           0.02090850       0.20662163       0.76782243 
           0.90352257       0.31193782       0.59347076 
           0.86470518       0.44614600       0.95311280 
           0.13969492       0.32452677       0.73640429 
           0.09853486       0.43665272       0.81622837 
           0.41629336       0.46604965       0.12075127 
           0.37209259       0.29034017       0.42181074 
           0.68479678       0.48233762       0.20744410 
           0.65016754       0.31286579       0.34125627 
           0.33009515       0.32316168       0.01062102 
           0.43729217       0.43548119       0.52283261 
           0.56707596       0.35080567       0.14391744 
           0.69299598       0.43007437       0.40115233 
           0.31268175       0.55110483       0.54725265 
           0.28001730       0.23486735       0.86964319 
           0.59812817       0.52119576       0.65254061 
           0.53844192       0.21210449       0.75139458 
           0.40133236       0.32562587       0.62594174 
           0.36927951       0.43160924       0.91746945 
           0.67487354       0.32914802       0.73050085 
           0.63189828       0.44067830       0.81144912 
           0.66144948       0.67415460       0.62723572 
           0.63658948       0.68656206       0.56520563 
           0.43923646       0.58018161       0.66812060 
   
  
  
           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
         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
    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 
   
  
  
          0.92515927       0.52917350       0.10868941 
          0.85817779       0.23372638       0.42924407 
          0.13310211       0.44959728       0.19702587 
          0.10103384       0.28483743       0.33385531 
          0.81975611       0.33553315       0.02578534 
          0.95556795       0.42292389       0.51654194 
          0.08364350       0.33496300       0.13669266 
          0.19903325       0.40665794       0.39023097 
          0.82924901       0.54915751       0.51691590 
          0.77333721       0.24587159       0.88327478 
          0.05529647       0.51199725       0.65005734 
          0.02090850       0.20662163       0.76782243 
          0.90352257       0.31193782       0.59347076 
          0.86470518       0.44614600       0.95311280 
          0.13969492       0.32452677       0.73640429 
          0.09853486       0.43665272       0.81622837 
          0.41629336       0.46604965       0.12075127 
          0.37209259       0.29034017       0.42181074 
          0.68479678       0.48233762       0.20744410 
          0.65016754       0.31286579       0.34125627 
          0.33009515       0.32316168       0.01062102 
          0.43729217       0.43548119       0.52283261 
          0.56707596       0.35080567       0.14391744 
          0.69299598       0.43007437       0.40115233 
          0.31268175       0.55110483       0.54725265 
          0.28001730       0.23486735       0.86964319 
          0.59812817       0.52119576       0.65254061 
          0.53844192       0.21210449       0.75139458 
          0.40133236       0.32562587       0.62594174 
          0.36927951       0.43160924       0.91746945 
          0.67487354       0.32914802       0.73050085 
          0.63189828       0.44067830       0.81144912 
          0.66144948       0.67415460       0.62723572 
          0.63658948       0.68656206       0.56520563 
          0.43923646       0.58018161       0.66812060 
  
 
 
  
      12.48   12.50
      13.35   13.37
   
         24.76344702 
       9080.01837143 
     -12361.00848759 
       -264.01065270 
       3167.08814863 
      -2605.71786812 
         -0.01821874 
       -196.39633525 
       3755.32434067 
        600.04274536 
        600.06096410 
        600.04881827 
   
  
  
      15.65   15.67
      15.65   15.67
   
        -88.83097330 
        -88.81941333 
        -88.82711998 
   
  
  
      14.81   14.84
      14.82   14.84
   
       -162.22469397 
       -162.19479130 
       -162.21472641 
   
  
  
      15.42   15.47
      15.42   15.48
   
       -165.30629126 
       -165.27625766 
       -165.29628006 
   
  
  
      15.95   15.99
      16.29   16.33
   
       -165.45568684 
       -165.42562429 
       -165.44566599 
   
  
  
      14.31   14.37
      16.30   16.36
   
      -1821.32303165 
      -1821.28714201 
      -1821.31106843 
   
  
  
      14.72   14.77
      15.55   15.59
   
       -128.93597549 
       -128.92585406 
       -128.93260168 
   
  
  
      15.09   15.14
      15.91   15.95
   
       -139.77880481 
       -139.74772983 
       -139.76844648 
   
  
  
      13.55   13.58
      14.41   14.45
   
       -137.49181689 
       -137.46812719 
       -137.48392032 
   
  
  
      16.27   16.32
      17.11   17.16
   
    **************** 
    **************** 
    **************** 
   
  
  
      13.65   13.70
      14.49   14.54
   
        -69.36020720 
        -69.37314278 
        -69.36451906 
   
  
  
      18.77   18.83
      19.62   19.68
   
       -562.24311821 
       -562.22505417 
       -562.23709687 
   
  
  
      14.92   14.95
      15.73   15.76
   
       -139.43767387 
       -139.44729009 
       -139.44087928 
   
  
  
      14.82   14.85
      15.65   15.68
   
       -150.82508874 
       -150.81386145 
       -150.82134631 
   
  
  
      14.85   14.89
      15.65   15.70
   
       -157.90311887 
       -157.90225572 
       -157.90283115 
   
  
  
      13.88   13.94
      14.73   14.79
   
       -158.95305358 
       -158.95032992 
       -158.95214569 
   
  
  
      13.90   13.96
      14.77   14.83
   
       -164.12170753 
       -164.11932030 
       -164.12091179 
   
  
  
      14.47   14.53
      15.31   15.37
   
       -178.19684514 
       -178.21473616 
       -178.20280881 
   
  
  
      12.93   12.97
      13.76   13.79
   
       -169.78041831 
       -169.79846499 
       -169.78643387 
   
  
  
      12.98   13.03
      13.78   13.83
   
       -171.63155056 
       -171.66255606 
       -171.64188572 
   
  
  
      14.27   14.33
      15.11   15.16
   
       -172.24706277 
       -172.27894439 
       -172.25768997 
   
  
  
      13.47   13.51
      14.32   14.35
   
       -170.64796526 
       -170.67351478 
       -170.65648177 
   
  
  
      13.90   13.95
      14.74   14.80
   
       -172.21501613 
       -172.23995815 
       -172.22333013 
   
  
  
      13.55   13.62
      14.48   14.54
   
       -174.12920962 
       -174.15360057 
       -174.13733994 
   
  
  
      13.49   13.54
      14.38   14.43
   
       -176.78586672 
       -176.81025802 
       -176.79399716 
   
  
  
      12.75   12.78
      13.76   13.79
   
       -171.09547222 
       -171.11979765 
       -171.10358069 
   
  
  
      16.66   16.72
      17.57   17.63
   
       -493.25641185 
       -493.22570340 
       -493.24617570 
   
  
  
      15.12   15.16
      16.29   16.33
   
     -40205.04570357 
     -40205.02952595 
     -40205.04031103 
   
  
  
       8.49    8.54
       9.37    9.42
   
       -159.28677069 
       -159.27402071 
       -159.28252070 
   
  
  
       7.67    7.71
       8.58    8.63
   
       -169.13505584 
       -169.14613794 
       -169.13874987 
   
  
  
       7.83    7.86
       8.61    8.65
   
       -172.50297156 
       -172.52605825 
       -172.51066712 
   
  
  
       6.44    6.47
       7.27    7.31
   
       -198.04242998 
       -198.07532081 
       -198.05339359 
   
  
  
       7.49    7.51
       8.31    8.33
   
       -174.32396616 
       -174.34893898 
       -174.33229043 
   
  
  
       5.96    6.00
       6.83    6.87
   
       -172.33698674 
       -172.36103406 
       -172.34500252 
   
  
  
       4.37    4.43
       5.17    5.23
   
       -169.22069790 
       -169.24465964 
       -169.22868515 
   
  
  
       4.03    4.07
       4.82    4.86
   
       -168.62181850 
       -168.64558321 
       -168.62974007 
   
  
  
       3.96    4.01
       4.71    4.76
   
       -172.34684030 
       -172.37069690 
       -172.35479250 
   
  
  
       4.30    4.34
       5.02    5.06
   
       -172.68954785 
       -172.71339622 
       -172.69749730 
   
  
  
       4.27    4.30
       5.01    5.03
   
       -172.90273216 
       -172.92652551 
       -172.91066328 
   
  
  
       4.24    4.28
       4.97    5.00
   
       -172.79181989 
       -172.81553776 
       -172.79972584 
   
  
  
       4.29    4.33
       5.05    5.09
   
       -172.00334608 
       -172.02693259 
       -172.01120825 
   
  
  
       4.02    4.05
       4.78    4.81
   
       -170.07086957 
       -170.09437016 
       -170.07870310 
   
  
  
       3.88    3.91
       4.64    4.67
   
       -172.30393831 
       -172.32745819 
       -172.31177827 
   
  
  
       4.14    4.18
       4.89    4.92
   
       -175.42476619 
       -175.44828351 
       -175.43260530 
   
  
  
       4.92    4.96
       5.66    5.70
   
       -441.55750459 
       -441.55242419 
       -441.55581112 
   
  
  
       4.32    4.35
       5.08    5.11
   
       -161.96761646 
       -161.95794915 
       -161.96439403 
   
  
  
       6.33    6.37
       7.08    7.13
   
     -16437.67733728 
     -16437.65730501 
     -16437.67065986 
   
  
  
       3.87    3.91
       4.64    4.68
   
       -429.48888890 
       -429.51795761 
       -429.49857847 
   
  
  
       4.34    4.37
       5.11    5.14
   
       -163.32289996 
       -163.34002693 
       -163.32860895 
   
  
  
       4.63    4.67
       5.39    5.42
   
       -170.84724310 
       -170.87106456 
       -170.85518359