vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 31 
  13:27:59 
 
 
  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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           0.93088088       0.52797346       0.10808524 
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           0.09257326       0.28209083       0.33252921 
           0.81796970       0.33289883       0.02636163 
           0.95658324       0.42111810       0.51818596 
           0.08133108       0.33315327       0.13683011 
           0.19845190       0.40682580       0.39016308 
           0.83137499       0.54473040       0.52141441 
           0.77130804       0.24366084       0.88265770 
           0.06108338       0.51044319       0.65293085 
           0.01294693       0.20511076       0.76095622 
           0.90211057       0.30979508       0.59263674 
           0.86430860       0.44384480       0.95542959 
           0.13757249       0.32321471       0.73682310 
           0.09827296       0.43437443       0.81930759 
           0.42402167       0.45950065       0.12143219 
           0.36260134       0.29244892       0.42110259 
           0.69039719       0.48433440       0.20932828 
           0.64261311       0.31345604       0.34140935 
           0.32392398       0.31649744       0.00948867 
           0.43508128       0.43831099       0.52110027 
           0.56104910       0.34593749       0.14077270 
           0.69250461       0.42858455       0.40028186 
           0.31891107       0.55535801       0.55120909 
           0.27342392       0.23091337       0.86395694 
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           0.53788465       0.20896592       0.75138606 
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           0.66987973       0.32571896       0.72717086 
           0.63075728       0.43575669       0.81548277 
           0.65400874       0.70511380       0.62239166 
           0.67143498       0.71748653       0.56109790 
           0.45917948       0.58009069       0.67694975 
   
  
  
           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       0.00000000 
  
  
          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
      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
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        0
         0.50000000
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         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 
   
  
  
          0.93088088       0.52797346       0.10808524 
          0.84967986       0.23250681       0.42789001 
          0.13689040       0.44755612       0.19488059 
          0.09257326       0.28209083       0.33252921 
          0.81796970       0.33289883       0.02636163 
          0.95658324       0.42111810       0.51818596 
          0.08133108       0.33315327       0.13683011 
          0.19845190       0.40682580       0.39016308 
          0.83137499       0.54473040       0.52141441 
          0.77130804       0.24366084       0.88265770 
          0.06108338       0.51044319       0.65293085 
          0.01294693       0.20511076       0.76095622 
          0.90211057       0.30979508       0.59263674 
          0.86430860       0.44384480       0.95542959 
          0.13757249       0.32321471       0.73682310 
          0.09827296       0.43437443       0.81930759 
          0.42402167       0.45950065       0.12143219 
          0.36260134       0.29244892       0.42110259 
          0.69039719       0.48433440       0.20932828 
          0.64261311       0.31345604       0.34140935 
          0.32392398       0.31649744       0.00948867 
          0.43508128       0.43831099       0.52110027 
          0.56104910       0.34593749       0.14077270 
          0.69250461       0.42858455       0.40028186 
          0.31891107       0.55535801       0.55120909 
          0.27342392       0.23091337       0.86395694 
          0.60003464       0.51652954       0.65635788 
          0.53788465       0.20896592       0.75138606 
          0.39637846       0.32874472       0.62404962 
          0.36803683       0.42562602       0.91984181 
          0.66987973       0.32571896       0.72717086 
          0.63075728       0.43575669       0.81548277 
          0.65400874       0.70511380       0.62239166 
          0.67143498       0.71748653       0.56109790 
          0.45917948       0.58009069       0.67694975 
  
 
 
  
      12.55   12.60
      13.27   13.33
   
         24.76344702 
       8971.05836900 
     -12252.94656813 
       -264.20546154 
       3167.08814863 
      -2605.71786812 
         -0.00309395 
       -197.00515932 
       3755.32434067 
        598.35615427 
        598.35924822 
        598.35718559 
   
  
  
      15.57   15.59
      15.57   15.60
   
        -89.08179289 
        -89.08096015 
        -89.08151531 
   
  
  
      14.85   14.88
      14.86   14.88
   
       -162.33047804 
       -162.30848752 
       -162.32314787 
   
  
  
      15.34   15.37
      15.34   15.37
   
       -165.31669840 
       -165.29277090 
       -165.30872256 
   
  
  
      16.06   16.10
      16.23   16.27
   
       -165.46613060 
       -165.44218156 
       -165.45814759 
   
  
  
      15.83   15.87
      16.72   16.75
   
      -7265.74811289 
      -7265.75553916 
      -7265.75058831 
   
  
  
      13.64   13.69
      14.50   14.56
   
       -119.89654121 
       -119.89356328 
       -119.89554857 
   
  
  
      15.30   15.34
      16.22   16.25
   
       -138.29958653 
       -138.28136833 
       -138.29351380 
   
  
  
      14.99   15.02
      15.89   15.92
   
       -142.42733590 
       -142.39412618 
       -142.41626599 
   
  
  
      14.85   14.91
      15.79   15.84
   
       -145.51903833 
       -145.49326191 
       -145.51044619 
   
  
  
      13.34   13.40
      14.23   14.29
   
       -145.37413629 
       -145.37398409 
       -145.37408556 
   
  
  
      16.10   16.17
      17.02   17.09
   
       -766.05149879 
       -766.04912574 
       -766.05070778 
   
  
  
      16.74   16.79
      17.67   17.73
   
      -3186.21490983 
      -3186.24003164 
      -3186.22328376 
   
  
  
      13.29   13.34
      14.15   14.21
   
       -139.74768254 
       -139.74731054 
       -139.74755854 
   
  
  
      14.32   14.36
      15.24   15.29
   
       -148.05050121 
       -148.04774125 
       -148.04958122 
   
  
  
      19.02   19.09
      19.98   20.05
   
      -8303.57299828 
      -8303.58379805 
      -8303.57659820 
   
  
  
      13.27   13.30
      14.56   14.59
   
       -144.31638993 
       -144.31278264 
       -144.31518750 
   
  
  
      14.43   14.49
      15.30   15.36
   
       -150.56518611 
       -150.58471559 
       -150.57169594 
   
  
  
      15.07   15.12
      16.02   16.06
   
       -232.79546583 
       -232.79730131 
       -232.79607765 
   
  
  
      15.35   15.39
      16.37   16.42
   
       -151.06978299 
       -151.08640778 
       -151.07532459 
   
  
  
      14.81   14.85
      15.76   15.80
   
       -165.73054256 
       -165.75535115 
       -165.73881209 
   
  
  
      14.42   14.47
      15.32   15.37
   
       -169.43050513 
       -169.45691489 
       -169.43930838 
   
  
  
      14.09   14.16
      15.08   15.14
   
       -173.20419787 
       -173.23060309 
       -173.21299961 
   
  
  
      14.06   14.09
      15.21   15.25
   
       -172.62679546 
       -172.65380488 
       -172.63579860 
   
  
  
      15.66   15.70
      16.73   16.77
   
       -216.08688958 
       -216.06247296 
       -216.07875071 
   
  
  
      13.23   13.30
      14.14   14.20
   
       -166.11652481 
       -166.14374057 
       -166.12559673 
   
  
  
      11.55   11.61
      12.54   12.60
   
       -168.59181039 
       -168.61909554 
       -168.60090544 
   
  
  
      10.17   10.24
      11.59   11.65
   
       -168.75135349 
       -168.77862654 
       -168.76044451 
   
  
  
       8.85    8.88
      10.20   10.23
   
       -174.39962053 
       -174.42665609 
       -174.40863239 
   
  
  
       9.59    9.62
      10.82   10.85
   
       -184.97084736 
       -184.99781976 
       -184.97983816 
   
  
  
       7.65    7.69
       8.56    8.60
   
       -408.52076889 
       -408.49536972 
       -408.51230250 
   
  
  
       5.89    5.92
       6.75    6.79
   
       -157.50507144 
       -157.49308511 
       -157.50107600 
   
  
  
       6.07    6.12
       6.92    6.96
   
       -172.44541105 
       -172.44929408 
       -172.44670539 
   
  
  
       5.17    5.20
       5.93    5.96
   
       -172.76652258 
       -172.79310172 
       -172.77538230 
   
  
  
       4.17    4.21
       5.00    5.04
   
       -168.61562084 
       -168.64231383 
       -168.62451850 
   
  
  
       5.14    5.18
       5.90    5.94
   
     -15281.82281456 
     -15281.81538771 
     -15281.82033895 
   
  
  
       4.34    4.37
       5.08    5.11
   
       -140.05280114 
       -140.05197057 
       -140.05252428 
   
  
  
       4.77    4.82
       5.53    5.57
   
       -169.23490839 
       -169.22915666 
       -169.23299115 
   
  
  
       4.91    4.94
       5.68    5.71
   
       -642.00008690 
       -641.98317850 
       -641.99445077 
   
  
  
       5.90    5.93
       6.65    6.68
   
    -102098.35079389 
    -102098.34030159 
    -102098.34729646 
   
  
  
       4.11    4.15
       4.84    4.88
   
     -18730.85741827 
     -18730.84659659 
     -18730.85381104 
   
  
  
       5.48    5.51
       6.22    6.25
   
      -2306.98233811 
      -2306.97928260 
      -2306.98131960 
   
  
  
       3.95    3.99
       4.69    4.73
   
       -156.40238216 
       -156.37767062 
       -156.39414498 
   
  
  
       4.07    4.10
       4.81    4.83
   
       -172.03549474 
       -172.04309824 
       -172.03802924 
   
  
  
       4.02    4.06
       4.77    4.81
   
       -167.68091984 
       -167.70708047 
       -167.68964005 
   
  
  
       3.89    3.93
       4.64    4.67
   
       -174.15968523 
       -174.18542611 
       -174.16826552 
   
  
  
       4.05    4.09
       4.80    4.83
   
       -169.94243489 
       -169.96858739 
       -169.95115239 
   
  
  
       4.24    4.27
       4.99    5.02
   
       -170.72131889 
       -170.74768388 
       -170.73010722 
   
  
  
       4.48    4.51
       5.27    5.30
   
       -173.96341517 
       -173.98984337 
       -173.97222457 
   
  
  
       4.64    4.67
       5.42    5.46
   
       -174.44632918 
       -174.47287780 
       -174.45517872 
   
  
  
       5.19    5.22
       5.96    5.99
   
     -16147.77358066 
     -16147.76561555 
     -16147.77092562