vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 01 09 
  21:34:31 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.77000000      0.32000000      0.72000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      25.32620000       0.00000000 
            0.00000000       0.00000000       5.41863000 
    
       1051.63255568 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.03948480       0.00000000 
            0.00000000       0.00000000       0.18454849 
    
   
   
           0.33750144       0.41809832       0.94957735 
           0.55478725       0.06021114       0.55500431 
           0.86124383       0.03691440       0.40489971 
           0.45923225       0.03676524       0.11907869 
           0.31214420       0.28102884       0.86525136 
           0.82559526       0.60494023       0.82113903 
           0.69769316       0.36602238       0.07043316 
           0.97220354       0.37668083       0.10313947 
           0.15871587       0.91298857       0.63374488 
           0.41536873       0.83451312       0.14363314 
           0.75600096       0.26087096       0.64958655 
           0.25335471       0.11272095       0.00968887 
           0.79596579       0.98204838       0.68070973 
           0.52852148       0.02325794       0.81580042 
           0.76426956       0.60161111       0.24267775 
           0.15559344       0.90036507       0.61219132 
           0.32626748       0.39931686       0.30839727 
           0.51830878       0.98538945       0.99567013 
           0.26407677       0.67221175       0.55858006 
           0.81491345       0.89821898       0.36589541 
           0.82597395       0.11291109       0.16823368 
           0.39044622       0.12995603       0.27248357 
           0.65734974       0.30153666       0.29026959 
           0.21223839       0.03788481       0.84536397 
           0.19260952       0.78823884       0.03020878 
           0.71693172       0.04549796       0.24189962 
           0.12497465       0.29908637       0.77709883 
           0.84048009       0.50287393       0.12645302 
           0.51430015       0.92199000       0.79139312 
           0.52322867       0.20145919       0.77957361 
           0.50441005       0.34556783       0.20448756 
           0.14962303       0.27543694       0.15579494 
           0.70647475       0.93891009       0.07950239 
           0.34752406       0.23045430       0.98800560 
           0.17232139       0.65577930       0.25678217 
           0.27512398       0.09769972       0.75452325 
           0.63194923       0.24100611       0.05465422 
           0.28062558       0.72483421       0.06885560 
           0.47362562       0.33242787       0.25623885 
           0.36934188       0.26383969       0.54951754 
           0.19739235       0.40368081       0.76011349 
           0.89191512       0.52641005       0.85327296 
           0.61853085       0.52566387       0.77037174 
           0.54443647       0.44349854       0.23654287 
   
  
  
           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 
          36 
          37 
          38 
          39 
          40 
          41 
          42 
          43 
          44 
  
 
 
  
          2        1        3 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       0.33333333 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.00000000       0.33333333 
          0.50000000       0.00000000       0.33333333 
  
  
          0.16666667 
          0.16666667 
          0.33333333 
          0.33333333 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
      108
       -1
       -1
       168.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         1
     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      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
      126
       28
       80
      252
       56
    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      0.77000000      0.32000000      0.72000000
      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     12.01100000      1.00000000     18.99800000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      1.00000000      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
        14.34044394
         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  
  
 
 
        44 
         5 
  
   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
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    C    3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    F    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      25Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       8O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       1C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       9H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1F      18.99800000      7.00000000  PAW_PBE F 08Apr2002                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      25.32620000       0.00000000 
           0.00000000       0.00000000       5.41863000 
   
      1051.63255568 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.03948480       0.00000000 
           0.00000000       0.00000000       0.18454849 
   
  
  
          0.33750144       0.41809832       0.94957735 
          0.55478725       0.06021114       0.55500431 
          0.86124383       0.03691440       0.40489971 
          0.45923225       0.03676524       0.11907869 
          0.31214420       0.28102884       0.86525136 
          0.82559526       0.60494023       0.82113903 
          0.69769316       0.36602238       0.07043316 
          0.97220354       0.37668083       0.10313947 
          0.15871587       0.91298857       0.63374488 
          0.41536873       0.83451312       0.14363314 
          0.75600096       0.26087096       0.64958655 
          0.25335471       0.11272095       0.00968887 
          0.79596579       0.98204838       0.68070973 
          0.52852148       0.02325794       0.81580042 
          0.76426956       0.60161111       0.24267775 
          0.15559344       0.90036507       0.61219132 
          0.32626748       0.39931686       0.30839727 
          0.51830878       0.98538945       0.99567013 
          0.26407677       0.67221175       0.55858006 
          0.81491345       0.89821898       0.36589541 
          0.82597395       0.11291109       0.16823368 
          0.39044622       0.12995603       0.27248357 
          0.65734974       0.30153666       0.29026959 
          0.21223839       0.03788481       0.84536397 
          0.19260952       0.78823884       0.03020878 
          0.71693172       0.04549796       0.24189962 
          0.12497465       0.29908637       0.77709883 
          0.84048009       0.50287393       0.12645302 
          0.51430015       0.92199000       0.79139312 
          0.52322867       0.20145919       0.77957361 
          0.50441005       0.34556783       0.20448756 
          0.14962303       0.27543694       0.15579494 
          0.70647475       0.93891009       0.07950239 
          0.34752406       0.23045430       0.98800560 
          0.17232139       0.65577930       0.25678217 
          0.27512398       0.09769972       0.75452325 
          0.63194923       0.24100611       0.05465422 
          0.28062558       0.72483421       0.06885560 
          0.47362562       0.33242787       0.25623885 
          0.36934188       0.26383969       0.54951754 
          0.19739235       0.40368081       0.76011349 
          0.89191512       0.52641005       0.85327296 
          0.61853085       0.52566387       0.77037174 
          0.54443647       0.44349854       0.23654287 
  
 
 
  
       6.48    6.63
       6.60    6.75
   
         74.00007382 
       3322.16727950 
      -9215.46630215 
         46.24059994 
       5642.42690935 
      -5222.73511433 
          0.00716498 
       -149.97116336 
       6953.63384995 
       1450.30329771 
       1450.29613272 
       1450.30090938 
   
  
  
       8.54    8.54
       8.54    8.54
   
        488.35872209 
        488.36523841 
        488.36089419 
   
  
  
       9.14    9.14
       9.14    9.14
   
        310.87786573 
        310.91637134 
        310.89070093 
   
  
  
       9.14    9.14
       9.14    9.14
   
        296.99268411 
        297.01955007 
        297.00163943 
   
  
  
       9.07    9.07
       9.09    9.10
   
        296.52221728 
        296.54518848 
        296.52987434 
   
  
  
      10.06   10.06
      10.21   10.21
   
        136.22618239 
        136.20226635 
        136.21821038 
   
  
  
      11.24   11.24
      11.39   11.39
   
       -525.82532334 
       -525.82620029 
       -525.82561565 
   
  
  
       9.50    9.51
       9.66    9.66
   
        399.93507462 
        399.92430178 
        399.93148368 
   
  
  
       9.02    9.03
       9.17    9.18
   
        316.91462783 
        316.92710860 
        316.91878809 
   
  
  
       8.53    8.54
       8.68    8.69
   
        299.45493306 
        299.43716440 
        299.44901017 
   
  
  
       8.45    8.46
       8.61    8.61
   
        297.60580073 
        297.61294557 
        297.60818235 
   
  
  
       9.64    9.65
       9.80    9.80
   
        300.25100172 
        300.20716342 
        300.23638895 
   
  
  
       8.77    8.77
       8.92    8.92
   
        313.32065068 
        313.32652567 
        313.32260901 
   
  
  
       9.13    9.13
       9.28    9.28
   
        321.17806290 
        321.12692355 
        321.16101645 
   
  
  
       9.39    9.40
       9.54    9.55
   
        340.51605949 
        340.48553930 
        340.50588609 
   
  
  
       8.18    8.18
       8.33    8.33
   
        340.81845712 
        340.79948103 
        340.81213176 
   
  
  
      10.12   10.12
      10.28   10.28
   
        329.29990350 
        329.29139897 
        329.29706866 
   
  
  
       8.58    8.59
       8.73    8.74
   
        285.03713939 
        285.03913199 
        285.03780359 
   
  
  
       7.95    7.96
       8.10    8.11
   
        234.96307190 
        234.98267698 
        234.96960693 
   
  
  
       8.04    8.04
       8.19    8.19
   
        210.56137001 
        210.57385767 
        210.56553257 
   
  
  
       7.89    7.89
       8.05    8.05
   
        197.93864868 
        197.94334122 
        197.94021286 
   
  
  
       8.22    8.22
       8.37    8.38
   
        194.80768295 
        194.82424465 
        194.81320351 
   
  
  
       7.47    7.49
       7.64    7.66
   
        205.41118533 
        205.42256077 
        205.41497715 
   
  
  
       5.77    5.78
       5.93    5.93
   
        211.16897320 
        211.18016692 
        211.17270444 
   
  
  
       5.13    5.16
       5.27    5.31
   
        220.91480665 
        220.92096351 
        220.91685894 
   
  
  
       3.23    3.23
       3.38    3.38
   
        307.87120633 
        307.91897514 
        307.88712926 
   
  
  
       2.18    2.22
       2.33    2.36
   
        316.91482307 
        316.92581125 
        316.91848580 
   
  
  
       1.41    1.42
       1.56    1.56
   
        315.79617656 
        315.80155283 
        315.79796865 
   
  
  
       1.77    1.77
       1.92    1.92
   
        317.06096833 
        317.08673164 
        317.06955610 
   
  
  
       1.41    1.41
       1.56    1.56
   
        316.32373750 
        316.33727293 
        316.32824931 
   
  
  
       1.51    1.51
       1.66    1.66
   
        319.05811958 
        319.05539737 
        319.05721218 
   
  
  
       1.99    1.99
       2.14    2.14
   
        319.03932399 
        319.04643013 
        319.04169270 
   
  
  
       1.78    1.78
       1.93    1.93
   
        323.47587726 
        323.50086010 
        323.48420487 
   
  
  
       1.40    1.40
       1.55    1.55
   
        321.39719975 
        321.42065810 
        321.40501920 
   
  
  
       1.58    1.58
       1.73    1.73
   
        316.22678252 
        316.26306060 
        316.23887522 
   
  
  
       1.40    1.41
       1.56    1.56
   
        316.68536448 
        316.71984819 
        316.69685905 
   
  
  
       1.91    1.91
       2.06    2.06
   
        316.87387106 
        316.90130556 
        316.88301589 
   
  
  
       1.83    1.84
       1.99    1.99
   
        314.02157638 
        314.05255056 
        314.03190111 
   
  
  
       1.69    1.69
       1.84    1.85
   
        295.54177629 
        295.54589942 
        295.54315067 
   
  
  
       1.37    1.37
       1.52    1.53
   
        293.59671347 
        293.59641968 
        293.59661554 
   
  
  
       1.45    1.45
       1.60    1.60
   
        297.35947143 
        297.37994234 
        297.36629507 
   
  
  
       1.62    1.62
       1.77    1.77
   
        294.95352425 
        294.95904171 
        294.95536340 
   
  
  
       1.69    1.69
       1.84    1.84
   
        292.76484537 
        292.75618582 
        292.76195885 
   
  
  
       1.36    1.36
       1.51    1.51
   
        293.97462419 
        293.96250800 
        293.97058546 
   
  
  
       1.73    1.74
       1.89    1.90
   
        293.20878321 
        293.19805593 
        293.20520745 
   
  
  
       1.67    1.68
       1.83    1.83
   
        295.93647520 
        295.95068036 
        295.94121025 
   
  
  
       1.64    1.64
       1.80    1.80
   
        293.04490258 
        293.05626233 
        293.04868916 
   
  
  
       1.66    1.66
       1.81    1.82
   
        286.49191793 
        286.49273015 
        286.49218867 
   
  
  
       1.62    1.62
       1.77    1.78
   
        282.35678091 
        282.38574321 
        282.36643501 
   
  
  
       1.55    1.55
       1.70    1.71
   
        266.70628779 
        266.69309743 
        266.70189100 
   
  
  
       1.66    1.67
       1.81    1.83
   
        161.17501585 
        161.22121011 
        161.19041394 
   
  
  
       1.44    1.44
       1.59    1.59
   
        118.30618060 
        118.29477809 
        118.30237976 
   
  
  
       1.48    1.48
       1.63    1.64
   
        116.30218120 
        116.29079916 
        116.29838719 
   
  
  
       1.84    1.85
       1.99    2.00
   
        115.82444219 
        115.81319003 
        115.82069147 
   
  
  
       1.39    1.40
       1.55    1.55
   
        105.96751703 
        105.96232532 
        105.96578646 
   
  
  
       2.00    2.01
       2.15    2.16
   
        294.31304583 
        294.34289791 
        294.32299652 
   
  
  
       1.72    1.72
       1.88    1.88
   
        246.67133538 
        246.68194275 
        246.67487117 
   
  
  
       1.88    1.88
       2.03    2.04
   
        190.88244395 
        190.89493707 
        190.88660833 
   
  
  
       1.50    1.51
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    **************** 
    **************** 
    **************** 
   
  
  
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