vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  12:23:53 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
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       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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           0.09471846       0.28410642       0.33457067 
           0.81814728       0.33308826       0.02659582 
           0.95803727       0.42185816       0.51876850 
           0.08241418       0.33367672       0.13719103 
           0.19955554       0.40622399       0.39067970 
           0.83346976       0.54577613       0.52037097 
           0.77223449       0.24399602       0.88235671 
           0.06168778       0.51111121       0.65280275 
           0.01642996       0.20570861       0.76254213 
           0.90210798       0.31074188       0.59366602 
           0.86397019       0.44385216       0.95454684 
           0.13927911       0.32349557       0.73699510 
           0.09827910       0.43484230       0.81865984 
           0.41987203       0.46260347       0.12187618 
           0.36686513       0.28994733       0.42147018 
           0.68974560       0.48214348       0.20740757 
           0.64506487       0.31315006       0.34143431 
           0.32818645       0.31853380       0.01143992 
           0.43471060       0.43754331       0.52117992 
           0.56394785       0.34910898       0.14336794 
           0.69345828       0.42914159       0.40128276 
           0.31465728       0.55513877       0.54687436 
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           0.63069027       0.43751526       0.81352878 
           0.65291565       0.69662806       0.62859099 
           0.65721214       0.70860098       0.55777020 
           0.45275258       0.57970541       0.67053167 
   
  
  
           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
        0
        2
         0.00000000
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        0
         0.50000000
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         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
  
  
        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
         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 
   
  
  
          0.92890972       0.52818580       0.10731740 
          0.85235927       0.23328409       0.42845587 
          0.13459549       0.44824720       0.19701349 
          0.09471846       0.28410642       0.33457067 
          0.81814728       0.33308826       0.02659582 
          0.95803727       0.42185816       0.51876850 
          0.08241418       0.33367672       0.13719103 
          0.19955554       0.40622399       0.39067970 
          0.83346976       0.54577613       0.52037097 
          0.77223449       0.24399602       0.88235671 
          0.06168778       0.51111121       0.65280275 
          0.01642996       0.20570861       0.76254213 
          0.90210798       0.31074188       0.59366602 
          0.86397019       0.44385216       0.95454684 
          0.13927911       0.32349557       0.73699510 
          0.09827910       0.43484230       0.81865984 
          0.41987203       0.46260347       0.12187618 
          0.36686513       0.28994733       0.42147018 
          0.68974560       0.48214348       0.20740757 
          0.64506487       0.31315006       0.34143431 
          0.32818645       0.31853380       0.01143992 
          0.43471060       0.43754331       0.52117992 
          0.56394785       0.34910898       0.14336794 
          0.69345828       0.42914159       0.40128276 
          0.31465728       0.55513877       0.54687436 
          0.27626676       0.23198828       0.86675652 
          0.59757330       0.51737971       0.65190023 
          0.53844088       0.20934321       0.75215504 
          0.39798223       0.32787825       0.62379658 
          0.36859616       0.42737766       0.91962569 
          0.67032661       0.32675003       0.72837052 
          0.63069027       0.43751526       0.81352878 
          0.65291565       0.69662806       0.62859099 
          0.65721214       0.70860098       0.55777020 
          0.45275258       0.57970541       0.67053167 
  
 
 
  
      14.85   14.98
      15.51   15.63
   
         24.76344702 
       9003.73381259 
     -12286.67987155 
       -264.21542773 
       3167.08814863 
      -2605.71786812 
          0.00291129 
       -185.97728370 
       3755.32434067 
        608.32220911 
        608.31929783 
        608.32123868 
   
  
  
      18.41   18.41
      18.41   18.41
   
        -87.46076666 
        -87.43374009 
        -87.45175780 
   
  
  
      17.68   17.68
      17.68   17.68
   
       -162.91176530 
       -162.88752212 
       -162.90368424 
   
  
  
      18.42   18.41
      18.42   18.42
   
       -165.95364335 
       -165.92851282 
       -165.94526650 
   
  
  
      19.00   18.99
      19.14   19.14
   
       -166.09150489 
       -166.06623581 
       -166.08308186 
   
  
  
      18.05   18.05
      18.83   18.83
   
      -5356.06002409 
      -5356.07654197 
      -5356.06553005 
   
  
  
      16.60   16.60
      17.36   17.36
   
       -115.66614769 
       -115.68615284 
       -115.67281607 
   
  
  
      17.64   17.64
      18.43   18.43
   
       -138.18465285 
       -138.15657155 
       -138.17529242 
   
  
  
      17.36   17.36
      18.17   18.17
   
       -141.15345751 
       -141.12029575 
       -141.14240359 
   
  
  
      21.41   21.41
      22.20   22.20
   
      -1415.00561249 
      -1415.04203430 
      -1415.01775309 
   
  
  
      18.44   18.43
      19.25   19.25
   
       -297.68082385 
       -297.64968203 
       -297.67044324 
   
  
  
      17.25   17.25
      18.04   18.04
   
       -138.18674025 
       -138.16970632 
       -138.18106228 
   
  
  
      17.91   17.91
      18.71   18.71
   
       -148.22151525 
       -148.21148879 
       -148.21817310 
   
  
  
      17.18   17.18
      18.01   18.01
   
       -151.42090703 
       -151.42625234 
       -151.42268880 
   
  
  
      16.26   16.26
      17.06   17.06
   
       -154.92273662 
       -154.92535197 
       -154.92360840 
   
  
  
      18.94   18.93
      19.72   19.72
   
       -163.52720430 
       -163.54177512 
       -163.53206124 
   
  
  
      16.77   16.76
      17.65   17.65
   
       -168.07169116 
       -168.09926691 
       -168.08088307 
   
  
  
      16.42   16.42
      17.29   17.29
   
       -171.26277365 
       -171.28903135 
       -171.27152621 
   
  
  
      16.30   16.30
      17.17   17.17
   
       -172.80514264 
       -172.83179827 
       -172.81402785 
   
  
  
      14.73   14.73
      15.59   15.59
   
       -160.33015295 
       -160.34439980 
       -160.33490190 
   
  
  
      17.52   17.52
      18.41   18.41
   
       -172.57215264 
       -172.60087933 
       -172.58172820 
   
  
  
      16.44   16.44
      17.32   17.32
   
       -173.61016501 
       -173.63689895 
       -173.61907632 
   
  
  
      16.10   16.10
      16.97   16.98
   
       -172.51475819 
       -172.54150618 
       -172.52367419 
   
  
  
      17.15   17.15
      18.05   18.05
   
       -173.78790979 
       -173.81466178 
       -173.79682712 
   
  
  
      15.89   15.89
      16.78   16.78
   
       -172.75232660 
       -172.77919713 
       -172.76128345 
   
  
  
      16.35   16.35
      17.23   17.23
   
       -173.60368517 
       -173.63053839 
       -173.61263625 
   
  
  
      15.87   15.87
      16.75   16.75
   
       -174.02274371 
       -174.04965407 
       -174.03171383 
   
  
  
      16.56   16.56
      17.43   17.43
   
       -173.89630342 
       -173.92315071 
       -173.90525251 
   
  
  
      14.81   14.81
      15.68   15.68
   
       -174.04423881 
       -174.07106568 
       -174.05318110 
   
  
  
      18.87   18.87
      19.72   19.72
   
    -251459.18527275 
    -251459.17794850 
    -251459.18283133 
   
  
  
      11.79   11.79
      12.66   12.66
   
     -15793.52330069 
     -15793.51552811 
     -15793.52070983 
   
  
  
      10.27   10.27
      11.14   11.14
   
       -146.17824834 
       -146.17161362 
       -146.17603676 
   
  
  
       9.70    9.70
      10.58   10.57
   
       -171.52255026 
       -171.53241765 
       -171.52583939 
   
  
  
       7.94    7.95
       8.81    8.81
   
      -9499.22148026 
      -9499.21976140 
      -9499.22090731 
   
  
  
       5.11    5.11
       5.98    5.98
   
       -146.35467782 
       -146.33843210 
       -146.34926258 
   
  
  
       3.33    3.33
       4.20    4.20
   
       -170.23151029 
       -170.23731763 
       -170.23344607 
   
  
  
       2.72    2.72
       3.59    3.59
   
       -172.89515332 
       -172.92173597 
       -172.90401420 
   
  
  
       2.64    2.64
       3.52    3.52
   
       -172.37643464 
       -172.40315350 
       -172.38534092 
   
  
  
       2.60    2.60
       3.47    3.47
   
       -174.11250365 
       -174.13911828 
       -174.12137519 
   
  
  
       2.65    2.65
       3.51    3.51
   
       -174.08352337 
       -174.11013592 
       -174.09239422 
   
  
  
       2.84    2.84
       3.71    3.71
   
       -183.68496671 
       -183.71171024 
       -183.69388122 
   
  
  
       2.41    2.41
       3.29    3.29
   
       -172.62209933 
       -172.64871200 
       -172.63097022 
   
  
  
       3.24    3.24
       4.12    4.12
   
     -10088.15683406 
     -10088.16874723 
     -10088.16080512 
   
  
  
       3.11    3.11
       3.99    3.99
   
       -993.82674022 
       -993.82132149 
       -993.82493398 
   
  
  
       3.43    3.43
       4.29    4.29
   
       -765.27222260 
       -765.28056305 
       -765.27500275 
   
  
  
       3.51    3.51
       4.37    4.37
   
      -3262.28797310 
      -3262.27363297 
      -3262.28319306 
   
  
  
       3.72    3.72
       4.60    4.60
   
      -6092.00104294 
      -6091.98004756 
      -6091.99404448 
   
  
  
       3.73    3.73
       4.59    4.59
   
      -1539.63527962 
      -1539.61122333 
      -1539.62726086 
   
  
  
       4.00    4.00
       4.90    4.90
   
      -7425.54797983 
      -7425.52763587 
      -7425.54119851 
   
  
  
       4.14    4.14
       5.01    5.01
   
     -14133.57595687 
     -14133.56405012 
     -14133.57198796 
   
  
  
       4.05    4.05
       4.89    4.89
   
     -17049.18228209 
     -17049.18424778 
     -17049.18293732 
   
  
  
       3.42    3.42
       4.29    4.29
   
      -1767.53602300 
      -1767.54272788 
      -1767.53825796 
   
  
  
       3.31    3.31
       4.16    4.16
   
    -564278.79744149 
    -564278.81276679 
    -564278.80254992 
   
  
  
       2.27    2.27
       3.15    3.15
   
      -8272.42595121 
      -8272.42036840 
      -8272.42409027 
   
  
  
       3.11    3.11
       4.00    4.00
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.59    2.59
       3.46    3.46
   
      -6605.75805643 
      -6605.75246816 
      -6605.75619367 
   
  
  
       2.70    2.70
       3.60    3.60
   
      -7799.96380710 
      -7799.94869411 
      -7799.95876944 
   
  
  
       3.19    3.20
       4.10    4.10
   
      -3156.47008146 
      -3156.45176033 
      -3156.46397442 
   
  
  
       3.94    3.94
       4.84    4.85
   
     -95831.51907869 
     -95831.52576372 
     -95831.52130703 
   
  
  
       3.97    3.97
       4.89    4.89
   
      -3967.43788167 
      -3967.41624011 
      -3967.43066781 
   
  
  
       3.70    3.70
       4.57    4.57
   
     -69471.47390455 
     -69471.45842787 
     -69471.46874566 
   
  
  
       3.38    3.38
       4.23    4.23
   
    -449256.47249748 
    -449256.45248444 
    -449256.46582647 
   
  
  
       2.80    2.80
       3.67    3.67
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.90    2.90
       3.78    3.78
   
     -54564.48956274 
     -54564.47477708 
     -54564.48463419 
   
  
  
       2.42    2.42
       3.32    3.32
   
    -307585.36051210 
    -307585.35728687 
    -307585.35943702 
   
  
  
       3.31    3.31
       4.19    4.19
   
    **************** 
    **************** 
    **************** 
   
  
  
       4.15    4.15
       5.03    5.03
   
      -1349.39711367 
      -1349.38579569 
      -1349.39334101 
   
  
  
       3.56    3.56
       4.45    4.45
   
    -117184.40434630 
    -117184.41704450 
    -117184.40857903 
   
  
  
       3.20    3.20
       4.10    4.10
   
    -412378.11812432 
    -412378.12802834 
    -412378.12142566 
   
  
  
       2.91    2.91
       3.81    3.81
   
    -625036.06320687 
    -625036.07058036 
    -625036.06566470 
   
  
  
       2.79    2.79
       3.68    3.68
   
    -589820.14935917 
    -589820.13569590 
    -589820.14480475 
   
  
  
       2.90    2.91
       3.79    3.80
   
    -386749.39920620 
    -386749.37737059 
    -386749.39192766 
   
  
  
       3.28    3.28
       4.17    4.17
   
    -525724.90061952 
    -525724.88016348 
    -525724.89380084 
   
  
  
       3.77    3.77
       4.68    4.68
   
    **************** 
    **************** 
    **************** 
   
  
  
       4.19    4.19
       5.07    5.07
   
    -887799.81136172 
    -887799.78786853 
    -887799.80353066 
   
  
  
       3.83    3.83
       4.70    4.71
   
    **************** 
    **************** 
    **************** 
   
  
  
       3.18    3.18
       4.08    4.08
   
    -413079.54089362 
    -413079.51779491 
    -413079.53319405 
   
  
  
       2.75    2.75
       3.63    3.64
   
    -974930.54933379 
    -974930.55981131 
    -974930.55282630 
   
  
  
       2.74    2.74
       3.63    3.63
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.91    2.91
       3.77    3.77
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.92    2.92
       3.77    3.77
   
    -980024.14640830 
    -980024.16253400 
    -980024.15178353 
   
  
  
       3.21    3.21
       4.07    4.07
   
    **************** 
    **************** 
    **************** 
   
  
  
       3.39    3.39
       4.26    4.26
   
    **************** 
    **************** 
    **************** 
   
  
  
       3.71    3.71
       4.58    4.58
   
    **************** 
    **************** 
    **************** 
   
  
  
       4.04    4.04
       4.95    4.95
   
    **************** 
    **************** 
    **************** 
   
  
  
       4.31    4.31
       5.16    5.16
   
    -746551.83786833 
    -746551.81776875 
    -746551.83116847 
   
  
  
       3.94    3.94
       4.79    4.79
   
    **************** 
    **************** 
    **************** 
   
  
  
       3.04    3.04
       3.89    3.89
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.77    2.77
       3.63    3.63
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.85    2.85
       3.71    3.71
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.96    2.96
       3.81    3.82
   
    **************** 
    **************** 
    **************** 
   
  
  
       3.35    3.35
       4.22    4.22
   
    **************** 
    **************** 
    **************** 
   
  
  
       3.94    3.94
       4.80    4.80
   
    **************** 
    **************** 
    **************** 
   
  
  
       3.94    3.94
       4.80    4.80
   
    **************** 
    **************** 
    **************** 
   
  
  
       3.51    3.51
       4.36    4.36
   
    **************** 
    **************** 
    ****************