vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 31 
  14:25:47 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
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       2
       1
      400.00000000
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  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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           0.92938693       0.52862837       0.10886522 
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           0.09594508       0.28235021       0.33256498 
           0.81801264       0.33430733       0.02588623 
           0.95731832       0.42190698       0.51816773 
           0.08167712       0.33369859       0.13689985 
           0.19866353       0.40734761       0.38976904 
           0.83108303       0.54538200       0.51868557 
           0.77172805       0.24465057       0.88337648 
           0.06067005       0.51161428       0.65179420 
           0.01512349       0.20561244       0.76399583 
           0.90273514       0.31063629       0.59296238 
           0.86492128       0.44517889       0.95462334 
           0.13812170       0.32355949       0.73698759 
           0.09851125       0.43528619       0.81816130 
           0.42181916       0.46175839       0.12122602 
           0.36556693       0.29258641       0.42122105 
           0.68844964       0.48415053       0.20868371 
           0.64518365       0.31313318       0.34115120 
           0.32569981       0.31863162       0.00984967 
           0.43589643       0.43748636       0.52104857 
           0.56262653       0.34730929       0.14183464 
           0.69335790       0.42948265       0.40020732 
           0.31684398       0.55466710       0.54990283 
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           0.63179714       0.43739393       0.81452747 
           0.65601155       0.69414592       0.62924169 
           0.65170017       0.70514915       0.55800374 
           0.45515817       0.57931502       0.67522720 
   
  
  
           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 
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          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
      104
       -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
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        2
         0.00000000
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        0
         0.50000000
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         0.00010000
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        1
      256
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        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
  
  
        1
        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
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        1
        1
        1
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    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 
   
  
  
          0.92938693       0.52862837       0.10886522 
          0.85258663       0.23310856       0.42838403 
          0.13615551       0.44836207       0.19504631 
          0.09594508       0.28235021       0.33256498 
          0.81801264       0.33430733       0.02588623 
          0.95731832       0.42190698       0.51816773 
          0.08167712       0.33369859       0.13689985 
          0.19866353       0.40734761       0.38976904 
          0.83108303       0.54538200       0.51868557 
          0.77172805       0.24465057       0.88337648 
          0.06067005       0.51161428       0.65179420 
          0.01512349       0.20561244       0.76399583 
          0.90273514       0.31063629       0.59296238 
          0.86492128       0.44517889       0.95462334 
          0.13812170       0.32355949       0.73698759 
          0.09851125       0.43528619       0.81816130 
          0.42181916       0.46175839       0.12122602 
          0.36556693       0.29258641       0.42122105 
          0.68844964       0.48415053       0.20868371 
          0.64518365       0.31313318       0.34115120 
          0.32569981       0.31863162       0.00984967 
          0.43589643       0.43748636       0.52104857 
          0.56262653       0.34730929       0.14183464 
          0.69335790       0.42948265       0.40020732 
          0.31684398       0.55466710       0.54990283 
          0.27587812       0.23210892       0.86595207 
          0.59936158       0.51712660       0.65406138 
          0.53834920       0.21023318       0.75119773 
          0.39806558       0.32765033       0.62483354 
          0.36910152       0.42772429       0.91918749 
          0.67195340       0.32698932       0.72836478 
          0.63179714       0.43739393       0.81452747 
          0.65601155       0.69414592       0.62924169 
          0.65170017       0.70514915       0.55800374 
          0.45515817       0.57931502       0.67522720 
  
 
 
  
      14.89   15.05
      15.54   15.70
   
         24.76344702 
       9011.23748017 
     -12294.35182689 
       -264.22021949 
       3167.08814863 
      -2605.71786812 
          0.00278788 
       -185.93994779 
       3755.32434067 
        608.18634209 
        608.18355421 
        608.18541280 
   
  
  
      18.43   18.43
      18.43   18.43
   
        -87.59609149 
        -87.57389980 
        -87.58869426 
   
  
  
      17.70   17.70
      17.70   17.70
   
       -162.86073830 
       -162.83682756 
       -162.85276805 
   
  
  
      18.41   18.41
      18.41   18.41
   
       -165.91459349 
       -165.88923947 
       -165.90614215 
   
  
  
      18.88   18.88
      19.03   19.02
   
       -166.05414481 
       -166.02865570 
       -166.04564844 
   
  
  
      16.69   16.69
      17.49   17.49
   
      -1195.73305460 
      -1195.73851645 
      -1195.73487522 
   
  
  
      15.97   15.97
      16.77   16.77
   
       -125.34249443 
       -125.33482700 
       -125.33993862 
   
  
  
      16.72   16.72
      17.50   17.49
   
       -127.29029051 
       -127.26430608 
       -127.28162903 
   
  
  
      16.78   16.78
      17.64   17.64
   
       -139.81777954 
       -139.79014085 
       -139.80856664 
   
  
  
      17.52   17.52
      18.36   18.36
   
       -145.61089889 
       -145.58395928 
       -145.60191902 
   
  
  
      19.60   19.60
      20.43   20.43
   
     -11725.73525707 
     -11725.75229335 
     -11725.74093583 
   
  
  
      15.63   15.63
      16.42   16.42
   
       -131.06198897 
       -131.07451003 
       -131.06616266 
   
  
  
      16.99   16.99
      17.79   17.79
   
       -152.50713689 
       -152.51613834 
       -152.51013737 
   
  
  
      17.32   17.31
      18.12   18.12
   
       -160.17097108 
       -160.17145698 
       -160.17113305 
   
  
  
      17.14   17.14
      17.96   17.96
   
       -163.32493941 
       -163.32637347 
       -163.32541743 
   
  
  
      16.42   16.41
      17.24   17.23
   
       -167.86677479 
       -167.89178923 
       -167.87511294 
   
  
  
      15.39   15.39
      16.18   16.18
   
       -165.98768718 
       -165.97573224 
       -165.98370220 
   
  
  
      17.51   17.51
      18.35   18.35
   
       -171.34222376 
       -171.36660785 
       -171.35035179 
   
  
  
      16.31   16.31
      17.10   17.10
   
       -172.45521732 
       -172.47872504 
       -172.46305323 
   
  
  
      17.44   17.44
      18.28   18.28
   
       -176.17123959 
       -176.19566429 
       -176.17938116 
   
  
  
      16.23   16.23
      17.09   17.09
   
       -173.71191457 
       -173.73594869 
       -173.71992594 
   
  
  
      15.67   15.67
      16.50   16.50
   
       -173.80421019 
       -173.82947765 
       -173.81263268 
   
  
  
      17.20   17.19
      18.00   17.99
   
       -174.14152865 
       -174.16700277 
       -174.15002002 
   
  
  
      17.72   17.72
      18.53   18.53
   
       -174.03407355 
       -174.05929957 
       -174.04248222 
   
  
  
      16.72   16.72
      17.56   17.56
   
      -1316.91921383 
      -1316.89790389 
      -1316.91211051 
   
  
  
      15.23   15.23
      16.05   16.05
   
       -166.71220044 
       -166.73729220 
       -166.72056436 
   
  
  
      17.15   17.15
      17.98   17.98
   
       -174.53060758 
       -174.55609119 
       -174.53910211 
   
  
  
      15.82   15.81
      16.68   16.68
   
       -173.22634639 
       -173.25156421 
       -173.23475233 
   
  
  
      16.49   16.48
      17.37   17.36
   
       -174.04037533 
       -174.06587503 
       -174.04887523 
   
  
  
      20.88   20.88
      21.71   21.71
   
      -2480.60699486 
      -2480.57434551 
      -2480.59611174 
   
  
  
      14.00   13.99
      14.81   14.81
   
       -166.82199049 
       -166.84859310 
       -166.83085803 
   
  
  
      16.61   16.61
      17.41   17.41
   
      -8032.49398789 
      -8032.51016057 
      -8032.49937878 
   
  
  
       8.71    8.71
       9.49    9.49
   
       -157.06093847 
       -157.06316661 
       -157.06168119 
   
  
  
      10.27   10.27
      11.08   11.08
   
       -167.20306134 
       -167.17582466 
       -167.19398245 
   
  
  
       8.92    8.92
       9.72    9.72
   
       -288.82763862 
       -288.80876277 
       -288.82134667 
   
  
  
       7.98    7.98
       8.78    8.78
   
    -342656.14919273 
    -342656.13034722 
    -342656.14291089 
   
  
  
       5.30    5.30
       6.10    6.10
   
       -100.25493143 
       -100.26140154 
       -100.25708813 
   
  
  
       5.04    5.04
       5.80    5.80
   
       -162.71020328 
       -162.69170021 
       -162.70403559 
   
  
  
       2.89    2.89
       3.68    3.68
   
       -168.93641886 
       -168.96142851 
       -168.94475541 
   
  
  
       2.81    2.81
       3.62    3.62
   
       -173.63002647 
       -173.65641781 
       -173.63882358 
   
  
  
       2.88    2.88
       3.68    3.68
   
       -173.79373468 
       -173.81949187 
       -173.80232041 
   
  
  
       2.72    2.72
       3.52    3.53
   
       -173.94570888 
       -173.97127230 
       -173.95423002 
   
  
  
       2.56    2.56
       3.36    3.36
   
       -174.09924691 
       -174.12494875 
       -174.10781419 
   
  
  
       2.40    2.40
       3.22    3.22
   
       -174.15699274 
       -174.18279045 
       -174.16559198 
   
  
  
       3.28    3.28
       4.07    4.07
   
      -5372.80722312 
      -5372.80443091 
      -5372.80629238 
   
  
  
       3.09    3.09
       3.90    3.90
   
      -8125.99382350 
      -8125.98924725 
      -8125.99229808 
   
  
  
       2.72    2.72
       3.53    3.53
   
       -404.80542321 
       -404.80551919 
       -404.80545520 
   
  
  
       3.21    3.21
       4.03    4.03
   
       -970.23235186 
       -970.24298424 
       -970.23589598 
   
  
  
       3.58    3.58
       4.40    4.40
   
      -8905.66060277 
      -8905.63501982 
      -8905.65207512 
   
  
  
       3.56    3.56
       4.39    4.39
   
      -4827.69922433 
      -4827.68050922 
      -4827.69298596 
   
  
  
       3.48    3.48
       4.28    4.28
   
     -16020.46046151 
     -16020.47287765 
     -16020.46460022 
   
  
  
       3.35    3.35
       4.15    4.15
   
     -15581.80661655 
     -15581.78106801 
     -15581.79810037 
   
  
  
       2.73    2.73
       3.56    3.56
   
     -39212.58628788 
     -39212.59904047 
     -39212.59053875 
   
  
  
       2.55    2.55
       3.36    3.36
   
      -6282.63521812 
      -6282.62689154 
      -6282.63244259 
   
  
  
       2.37    2.37
       3.18    3.18
   
     -35413.60401039 
     -35413.60740507 
     -35413.60514195 
   
  
  
       2.30    2.30
       3.12    3.12
   
       -866.75853046 
       -866.77190883 
       -866.76298992 
   
  
  
       2.20    2.20
       3.02    3.02
   
     -21180.80877620 
     -21180.81870674 
     -21180.81208638 
   
  
  
       2.40    2.40
       3.21    3.21
   
    -161104.01118829 
    -161103.99338137 
    -161104.00525265 
   
  
  
       2.30    2.30
       3.10    3.10
   
      -1046.36338724 
      -1046.32692402 
      -1046.35123284 
   
  
  
       2.64    2.64
       3.44    3.44
   
    -317082.01615683 
    -317082.03042847 
    -317082.02091404 
   
  
  
       2.60    2.60
       3.38    3.38
   
      -1254.67611089 
      -1254.66295458 
      -1254.67172545 
   
  
  
       2.95    2.95
       3.74    3.74
   
     -87928.35716573 
     -87928.34399100 
     -87928.35277415 
   
  
  
       2.25    2.25
       3.06    3.06
   
      -1236.30276605 
      -1236.24403982 
      -1236.28319064 
   
  
  
       2.40    2.40
       3.22    3.22
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.51    2.51
       3.32    3.32
   
    -740667.99265950 
    -740668.00180216 
    -740667.99570705 
   
  
  
       2.69    2.69
       3.48    3.48
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.80    2.80
       3.61    3.61
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.68    2.68
       3.48    3.48
   
    -266496.13720081 
    -266496.12076606 
    -266496.13172256 
   
  
  
       2.72    2.72
       3.54    3.54
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.73    2.73
       3.53    3.53
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.49    2.49
       3.30    3.30
   
     -46505.05968255 
     -46505.01985760 
     -46505.04640757 
   
  
  
       2.40    2.40
       3.19    3.19
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.41    2.41
       3.22    3.22
   
    **************** 
    **************** 
    ****************