vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 01 09 
  20:04:57 
 
 
  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 
    
   
   
           0.37200254       0.65435819       0.77738957 
           0.61345993       0.91462498       0.25353934 
           0.81083355       0.34523813       0.08429106 
           0.39695994       0.17342744       0.06254882 
           0.67426165       0.72340943       0.75607504 
           0.98643997       0.39361677       0.75896859 
           0.70240831       0.50721724       0.21440267 
           0.45482188       0.57428129       0.08853520 
           0.84065102       0.23162233       0.32653639 
           0.21312095       0.30113439       0.50210910 
           0.88394204       0.02783659       0.99606263 
           0.63262782       0.46131170       0.11090834 
           0.15080943       0.24906555       0.41187196 
           0.42630202       0.92951751       0.40686380 
           0.99021837       0.19230082       0.37563820 
           0.69638316       0.22023640       0.44177532 
           0.45448800       0.80104161       0.12072296 
           0.22217469       0.92228069       0.06713162 
           0.17094881       0.27141473       0.80306112 
           0.71589987       0.23068438       0.41714517 
           0.45425003       0.23359198       0.75355960 
           0.08344802       0.96236619       0.70726022 
           0.07296008       0.83847080       0.09443685 
           0.42226624       0.63311638       0.35208628 
           0.35037673       0.66197020       0.75512080 
           0.01514432       0.36896406       0.99977363 
           0.47034773       0.16188483       0.78019556 
           0.33130229       0.91972277       0.09524263 
           0.20377736       0.95292520       0.15829915 
           0.21064721       0.46145536       0.14774641 
           0.80895470       0.83506845       0.80318598 
           0.19721044       0.44656049       0.32576181 
           0.54977302       0.95259408       0.07920062 
           0.49373079       0.39530876       0.60130391 
           0.33587977       0.86178037       0.55031729 
           0.11095026       0.44715630       0.69744732 
           0.59750183       0.93605545       0.74466540 
           0.07006803       0.23964978       0.60786514 
           0.97432333       0.78871474       0.41884577 
           0.30313591       0.32577032       0.38896848 
           0.26648302       0.16964285       0.84081018 
           0.91214833       0.24545205       0.98823264 
           0.29801987       0.67534168       0.11293006 
           0.59514674       0.56399872       0.49445190 
   
  
  
           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 
   
  
  
          0.37200254       0.65435819       0.77738957 
          0.61345993       0.91462498       0.25353934 
          0.81083355       0.34523813       0.08429106 
          0.39695994       0.17342744       0.06254882 
          0.67426165       0.72340943       0.75607504 
          0.98643997       0.39361677       0.75896859 
          0.70240831       0.50721724       0.21440267 
          0.45482188       0.57428129       0.08853520 
          0.84065102       0.23162233       0.32653639 
          0.21312095       0.30113439       0.50210910 
          0.88394204       0.02783659       0.99606263 
          0.63262782       0.46131170       0.11090834 
          0.15080943       0.24906555       0.41187196 
          0.42630202       0.92951751       0.40686380 
          0.99021837       0.19230082       0.37563820 
          0.69638316       0.22023640       0.44177532 
          0.45448800       0.80104161       0.12072296 
          0.22217469       0.92228069       0.06713162 
          0.17094881       0.27141473       0.80306112 
          0.71589987       0.23068438       0.41714517 
          0.45425003       0.23359198       0.75355960 
          0.08344802       0.96236619       0.70726022 
          0.07296008       0.83847080       0.09443685 
          0.42226624       0.63311638       0.35208628 
          0.35037673       0.66197020       0.75512080 
          0.01514432       0.36896406       0.99977363 
          0.47034773       0.16188483       0.78019556 
          0.33130229       0.91972277       0.09524263 
          0.20377736       0.95292520       0.15829915 
          0.21064721       0.46145536       0.14774641 
          0.80895470       0.83506845       0.80318598 
          0.19721044       0.44656049       0.32576181 
          0.54977302       0.95259408       0.07920062 
          0.49373079       0.39530876       0.60130391 
          0.33587977       0.86178037       0.55031729 
          0.11095026       0.44715630       0.69744732 
          0.59750183       0.93605545       0.74466540 
          0.07006803       0.23964978       0.60786514 
          0.97432333       0.78871474       0.41884577 
          0.30313591       0.32577032       0.38896848 
          0.26648302       0.16964285       0.84081018 
          0.91214833       0.24545205       0.98823264 
          0.29801987       0.67534168       0.11293006 
          0.59514674       0.56399872       0.49445190 
  
 
 
  
       6.34    6.49
       6.47    6.62
   
         74.00007382 
        150.87840292 
      -5039.53758133 
         45.22000797 
       5642.42690935 
      -5222.73511433 
         -0.01804832 
       -215.04458140 
       6953.63384995 
       2388.82391863 
       2388.84196695 
       2388.82993474 
   
  
  
       9.33    9.34
       9.33    9.34
   
       1223.21821549 
       1223.20283500 
       1223.21308866 
   
  
  
       9.76    9.76
       9.76    9.76
   
        949.41257244 
        949.44340639 
        949.42285042 
   
  
  
       9.09    9.09
       9.09    9.09
   
        927.41352960 
        927.42578141 
        927.41761353 
   
  
  
       9.49    9.50
       9.52    9.53
   
        926.77553918 
        926.78674330 
        926.77927389 
   
  
  
       9.97    9.97
      10.11   10.12
   
        965.15870386 
        965.15251204 
        965.15663992 
   
  
  
       9.84    9.84
       9.99    9.99
   
        992.32720503 
        992.31898263 
        992.32446423 
   
  
  
       9.79    9.80
       9.94    9.95
   
       1063.39775275 
       1063.42058970 
       1063.40536506 
   
  
  
       8.63    8.63
       8.78    8.78
   
       1100.69189282 
       1100.69267309 
       1100.69215291 
   
  
  
       8.68    8.69
       8.83    8.84
   
       1078.17331903 
       1078.19127650 
       1078.17930485 
   
  
  
       8.44    8.45
       8.59    8.60
   
       1060.51224950 
       1060.49683419 
       1060.50711107 
   
  
  
       8.62    8.62
       8.77    8.77
   
       1077.96077136 
       1077.96296064 
       1077.96150112 
   
  
  
       8.83    8.84
       8.98    8.98
   
       1020.37130546 
       1020.37704296 
       1020.37321796 
   
  
  
       8.49    8.50
       8.64    8.65
   
       1071.75973261 
       1071.79167614 
       1071.77038046 
   
  
  
       8.83    8.84
       8.99    9.00
   
       1088.02714925 
       1088.03348275 
       1088.02926042 
   
  
  
       9.40    9.40
       9.54    9.55
   
       1058.95860382 
       1058.97590176 
       1058.96436980 
   
  
  
       9.17    9.18
       9.33    9.34
   
       1059.01318277 
       1058.98795499 
       1059.00477351 
   
  
  
       9.28    9.28
       9.42    9.42
   
       1046.33721752 
       1046.37997744 
       1046.35147083 
   
  
  
       8.41    8.41
       8.56    8.56
   
       1042.70077045 
       1042.73914682 
       1042.71356257 
   
  
  
       9.07    9.08
       9.22    9.23
   
       1042.22177872 
       1042.25810941 
       1042.23388895 
   
  
  
       8.78    8.78
       8.93    8.93
   
       1042.63464785 
       1042.66994907 
       1042.64641492 
   
  
  
       9.16    9.16
       9.32    9.32
   
       1038.92929623 
       1038.95549924 
       1038.93803057 
   
  
  
       8.15    8.15
       8.31    8.31
   
       1032.18164584 
       1032.21860017 
       1032.19396395 
   
  
  
       9.57    9.57
       9.73    9.74
   
       1017.02132994 
       1016.98987819 
       1017.01084603 
   
  
  
       7.86    7.86
       8.03    8.03
   
       1011.73638760 
       1011.69225435 
       1011.72167652 
   
  
  
       9.32    9.33
       9.47    9.48
   
        986.29303153 
        986.33468010 
        986.30691439 
   
  
  
       8.13    8.14
       8.29    8.29
   
        969.77123562 
        969.76601169 
        969.76949431 
   
  
  
       8.55    8.55
       8.72    8.72
   
        969.83172281 
        969.83397270 
        969.83247277 
   
  
  
      11.12   11.12
      11.27   11.28
   
    -219379.29001271 
    -219379.32689499 
    -219379.30230681 
   
  
  
       7.12    7.12
       7.27    7.27
   
      -4447.57192726 
      -4447.60008772 
      -4447.58131408 
   
  
  
       8.66    8.67
       8.82    8.82
   
        929.68241523 
        929.69287658 
        929.68590235 
   
  
  
       9.40    9.41
       9.56    9.56
   
        893.56491810 
        893.56081595 
        893.56355072 
   
  
  
       8.41    8.41
       8.56    8.56
   
        498.69095029 
        498.72796733 
        498.70328931 
   
  
  
       7.95    7.95
       8.11    8.11
   
        768.43455614 
        768.45239346 
        768.44050191 
   
  
  
       7.67    7.68
       7.84    7.84
   
        864.49465386 
        864.46827017 
        864.48585930 
   
  
  
       8.71    8.71
       8.86    8.87
   
        785.34097409 
        785.37073654 
        785.35089490 
   
  
  
       7.60    7.60
       7.75    7.75
   
        750.36090130 
        750.35983407 
        750.36054555 
   
  
  
       8.98    8.98
       9.14    9.14
   
        762.17868798 
        762.17419847 
        762.17719148 
   
  
  
       7.80    7.80
       7.96    7.96
   
        803.09559279 
        803.10491444 
        803.09870001 
   
  
  
       8.04    8.04
       8.20    8.20
   
        803.31277651 
        803.31583284 
        803.31379529 
   
  
  
       8.28    8.29
       8.45    8.46
   
        796.41082636 
        796.38433343 
        796.40199538 
   
  
  
       8.12    8.13
       8.28    8.28
   
        781.37228181 
        781.36783175 
        781.37079846 
   
  
  
       7.61    7.61
       7.78    7.78
   
        783.85408211 
        783.84968613 
        783.85261678 
   
  
  
       7.67    7.67
       7.84    7.84
   
        847.52690535 
        847.51966409 
        847.52449159 
   
  
  
       7.73    7.73
       7.90    7.91
   
        672.84620854 
        672.82485559 
        672.83909089 
   
  
  
       7.32    7.32
       7.48    7.48
   
        895.64569589 
        895.63508907 
        895.64216029 
   
  
  
       6.03    6.03
       6.19    6.20
   
       1028.07770173 
       1028.11575121 
       1028.09038489 
   
  
  
       7.73    7.74
       7.90    7.90
   
     -18559.46716455 
     -18559.48538827 
     -18559.47323912 
   
  
  
       7.29    7.30
       7.46    7.47
   
      -4374.15754491 
      -4374.16928004 
      -4374.16145662 
   
  
  
       5.87    5.87
       6.03    6.03
   
       -324.25176932 
       -324.24941917 
       -324.25098593 
   
  
  
       5.26    5.26
       5.42    5.42
   
        231.73287141 
        231.73129357 
        231.73234546 
   
  
  
       6.86    6.86
       7.01    7.01
   
    -138716.96141759 
    -138716.97782538 
    -138716.96688685 
   
  
  
       6.06    6.06
       6.21    6.22
   
      -2308.23937884 
      -2308.22802296 
      -2308.23559355 
   
  
  
       6.46    6.47
       6.62    6.62
   
       -310.14628686 
       -310.14831888 
       -310.14696420 
   
  
  
       6.11    6.12
       6.27    6.28
   
        354.83166959 
        354.80176468 
        354.82170128 
   
  
  
       6.19    6.19
       6.35    6.36
   
        430.99287134 
        431.02639546 
        431.00404604 
   
  
  
       4.88    4.88
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        595.17451655 
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       5.31    5.32
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        271.00270053 
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       5.05    5.05
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        367.72987122 
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       3.97    4.02
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       -831.08371819 
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       3.69    3.69
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     -11317.36669192 
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       3.49    3.49
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          5.58556657 
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       3.47    3.48
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       3.44    3.44
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       3.55    3.56
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      -1398.61485636 
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       3.47    3.47
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       3.13    3.13
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       3.44    3.44
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       3.23    3.23
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       3.53    3.53
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       3.38    3.39
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      -1735.13406056 
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       2.99    3.00
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       3.39    3.40
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      -6200.19902062 
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       2.31    2.31
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       1.81    1.81
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       1.44    1.44
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    **************** 
    **************** 
    **************** 
   
  
  
       2.03    2.03
       2.18    2.18
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.65    1.65
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     -32998.79451779 
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       1.70    1.71
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