vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 01 09 
  20:15:12 
 
 
  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 
    
   
   
           0.99822705       0.90320720       0.44345025 
           0.65830557       0.13936784       0.51499763 
           0.89771391       0.94250405       0.30474073 
           0.87236035       0.58098979       0.27950030 
           0.78488718       0.10187377       0.75439395 
           0.50453389       0.12870461       0.81548306 
           0.19891594       0.15195770       0.04879731 
           0.90645005       0.48329597       0.14723579 
           0.13487218       0.09806546       0.88122783 
           0.37208760       0.38192333       0.05363702 
           0.56538651       0.97552685       0.49477726 
           0.79497333       0.19922403       0.21194578 
           0.92804661       0.29991487       0.66350333 
           0.25147441       0.14635959       0.83715105 
           0.39445950       0.72087168       0.94153649 
           0.27428266       0.88742960       0.39324819 
           0.94136303       0.89029685       0.94223107 
           0.12617467       0.63188810       0.21101977 
           0.62082566       0.71469801       0.68935979 
           0.66522929       0.82240301       0.22476222 
           0.07366677       0.80292551       0.45408111 
           0.53027341       0.90126679       0.64210481 
           0.86973247       0.92345219       0.30949221 
           0.49719130       0.49496692       0.17966405 
           0.55321619       0.16345828       0.99502552 
           0.86234481       0.34549159       0.85030056 
           0.78074611       0.72440027       0.47297977 
           0.36882137       0.09631247       0.81732841 
           0.51758005       0.50654918       0.21583910 
           0.33826511       0.34966556       0.28855009 
           0.59817831       0.94922565       0.84425558 
           0.55096849       0.13021276       0.68621361 
           0.85036296       0.99461126       0.90079912 
           0.55602188       0.08852745       0.64284565 
           0.88752361       0.45976631       0.86887629 
           0.69510833       0.18957268       0.77957985 
           0.31863635       0.16925376       0.80989268 
           0.15558093       0.82304588       0.96605956 
           0.57418932       0.38246339       0.71263719 
           0.87880067       0.34857627       0.05641352 
           0.37524011       0.45172063       0.74931041 
           0.17462690       0.93172633       0.64934214 
           0.66232689       0.47832140       0.72644806 
           0.97480128       0.96770648       0.09685166 
   
  
  
           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 
   
  
  
          0.99822705       0.90320720       0.44345025 
          0.65830557       0.13936784       0.51499763 
          0.89771391       0.94250405       0.30474073 
          0.87236035       0.58098979       0.27950030 
          0.78488718       0.10187377       0.75439395 
          0.50453389       0.12870461       0.81548306 
          0.19891594       0.15195770       0.04879731 
          0.90645005       0.48329597       0.14723579 
          0.13487218       0.09806546       0.88122783 
          0.37208760       0.38192333       0.05363702 
          0.56538651       0.97552685       0.49477726 
          0.79497333       0.19922403       0.21194578 
          0.92804661       0.29991487       0.66350333 
          0.25147441       0.14635959       0.83715105 
          0.39445950       0.72087168       0.94153649 
          0.27428266       0.88742960       0.39324819 
          0.94136303       0.89029685       0.94223107 
          0.12617467       0.63188810       0.21101977 
          0.62082566       0.71469801       0.68935979 
          0.66522929       0.82240301       0.22476222 
          0.07366677       0.80292551       0.45408111 
          0.53027341       0.90126679       0.64210481 
          0.86973247       0.92345219       0.30949221 
          0.49719130       0.49496692       0.17966405 
          0.55321619       0.16345828       0.99502552 
          0.86234481       0.34549159       0.85030056 
          0.78074611       0.72440027       0.47297977 
          0.36882137       0.09631247       0.81732841 
          0.51758005       0.50654918       0.21583910 
          0.33826511       0.34966556       0.28855009 
          0.59817831       0.94922565       0.84425558 
          0.55096849       0.13021276       0.68621361 
          0.85036296       0.99461126       0.90079912 
          0.55602188       0.08852745       0.64284565 
          0.88752361       0.45976631       0.86887629 
          0.69510833       0.18957268       0.77957985 
          0.31863635       0.16925376       0.80989268 
          0.15558093       0.82304588       0.96605956 
          0.57418932       0.38246339       0.71263719 
          0.87880067       0.34857627       0.05641352 
          0.37524011       0.45172063       0.74931041 
          0.17462690       0.93172633       0.64934214 
          0.66232689       0.47832140       0.72644806 
          0.97480128       0.96770648       0.09685166 
  
 
 
  
       6.96    7.03
       7.12    7.19
   
         74.00007382 
       4117.49719019 
      -9224.28221399 
         54.08367695 
       5642.42690935 
      -5222.73511433 
         -0.00524498 
       -451.41738053 
       6953.63384995 
       1943.20174643 
       1943.20699141 
       1943.20349476 
   
  
  
       8.96    8.96
       8.96    8.97
   
        734.36228136 
        734.39510131 
        734.37322134 
   
  
  
       9.40    9.40
       9.40    9.40
   
        532.98243934 
        532.97495952 
        532.97994606 
   
  
  
       8.73    8.73
       8.73    8.73
   
        521.14157820 
        521.11153677 
        521.13156439 
   
  
  
       8.92    8.92
       8.95    8.95
   
        520.61884501 
        520.58366835 
        520.60711945 
   
  
  
      10.67   10.67
      10.82   10.82
   
        371.83420394 
        371.82525929 
        371.83122239 
   
  
  
      10.62   10.62
      10.77   10.77
   
      -3895.45207292 
      -3895.43564469 
      -3895.44659684 
   
  
  
       8.84    8.84
       9.00    9.00
   
        -69.40904254 
        -69.41175326 
        -69.40994612 
   
  
  
      10.06   10.06
      10.21   10.21
   
        763.74607446 
        763.76742220 
        763.75319037 
   
  
  
       8.84    8.85
       8.99    8.99
   
        615.68613191 
        615.69949024 
        615.69058469 
   
  
  
       8.44    8.45
       8.59    8.60
   
        623.79831621 
        623.81283231 
        623.80315491 
   
  
  
       8.24    8.24
       8.39    8.40
   
        609.96996707 
        609.99976349 
        609.97989921 
   
  
  
       8.56    8.57
       8.71    8.73
   
        609.02957603 
        609.04882008 
        609.03599071 
   
  
  
       7.98    7.99
       8.13    8.14
   
        599.39552446 
        599.37935322 
        599.39013404 
   
  
  
       9.08    9.09
       9.23    9.24
   
        617.31739072 
        617.33393079 
        617.32290407 
   
  
  
       7.87    7.88
       8.03    8.03
   
        593.47439900 
        593.50306768 
        593.48395522 
   
  
  
       8.53    8.53
       8.69    8.69
   
        615.82529336 
        615.77624535 
        615.80894402 
   
  
  
       8.68    8.68
       8.83    8.84
   
        599.98057497 
        599.99919495 
        599.98678163 
   
  
  
       7.99    8.00
       8.14    8.14
   
        575.50015724 
        575.51844612 
        575.50625353 
   
  
  
       8.90    8.90
       9.05    9.05
   
        322.20087442 
        322.24299367 
        322.21491417 
   
  
  
       8.40    8.40
       8.56    8.56
   
        -95.27364985 
        -95.26669617 
        -95.27133196 
   
  
  
       8.45    8.46
       8.61    8.61
   
       -153.34822360 
       -153.35632837 
       -153.35092519 
   
  
  
       8.52    8.52
       8.68    8.68
   
        -74.78194298 
        -74.76582619 
        -74.77657072 
   
  
  
       8.25    8.26
       8.41    8.41
   
         -6.61712144 
         -6.61583693 
         -6.61669327 
   
  
  
       8.17    8.18
       8.33    8.33
   
        176.95850287 
        176.95451179 
        176.95717251 
   
  
  
       8.41    8.42
       8.57    8.57
   
        230.31332945 
        230.33775934 
        230.32147275 
   
  
  
       8.77    8.77
       8.93    8.93
   
        238.71118369 
        238.74258132 
        238.72164957 
   
  
  
       7.30    7.32
       7.47    7.50
   
        246.73919004 
        246.77930377 
        246.75256128 
   
  
  
       7.10    7.10
       7.25    7.25
   
        249.77955655 
        249.81634651 
        249.79181987 
   
  
  
       5.88    5.99
       6.03    6.14
   
        211.18931893 
        211.23281760 
        211.20381849 
   
  
  
       5.71    5.71
       5.86    5.86
   
        225.34042729 
        225.37498461 
        225.35194640 
   
  
  
       6.59    6.60
       6.74    6.75
   
        208.87530808 
        208.90804269 
        208.88621962 
   
  
  
       4.49    4.49
       4.64    4.64
   
        336.01389990 
        336.03215061 
        336.01998347 
   
  
  
       3.95    3.95
       4.10    4.10
   
        405.31954155 
        405.27401335 
        405.30436548 
   
  
  
       3.89    3.90
       4.04    4.05
   
        426.11455195 
        426.07947002 
        426.10285797 
   
  
  
       3.69    3.69
       3.85    3.85
   
        438.61066904 
        438.65817852 
        438.62650553 
   
  
  
       3.85    3.85
       4.00    4.00
   
        525.95461044 
        525.96691424 
        525.95871171 
   
  
  
       3.85    3.85
       4.01    4.01
   
        539.52814055 
        539.53175663 
        539.52934591 
   
  
  
       3.91    3.91
       4.06    4.07
   
        558.36669917 
        558.42522562 
        558.38620798 
   
  
  
       3.91    3.91
       4.06    4.07
   
        555.62141564 
        555.63770268 
        555.62684465 
   
  
  
       4.08    4.08
       4.23    4.23
   
        515.38234551 
        515.40786937 
        515.39085347 
   
  
  
       3.84    3.84
       3.99    4.00
   
        508.74029079 
        508.74010165 
        508.74022774 
   
  
  
       3.97    3.97
       4.12    4.12
   
        509.73309726 
        509.73271896 
        509.73297116 
   
  
  
       3.97    3.97
       4.12    4.12
   
        457.89049851 
        457.89349528 
        457.89149743 
   
  
  
       3.67    3.68
       3.83    3.83
   
        456.88073430 
        456.90987630 
        456.89044830 
   
  
  
       3.37    3.37
       3.52    3.53
   
        454.84717810 
        454.88519929 
        454.85985183 
   
  
  
       2.81    2.81
       2.97    2.97
   
        464.51149580 
        464.52914398 
        464.51737853 
   
  
  
       2.63    2.64
       2.79    2.79
   
        463.44564713 
        463.45270332 
        463.44799920 
   
  
  
       2.77    2.77
       2.92    2.93
   
        452.41689435 
        452.39704595 
        452.41027822 
   
  
  
       2.85    2.86
       3.01    3.02
   
        452.96567489 
        452.98284528 
        452.97139835 
   
  
  
       3.34    3.34
       3.49    3.49
   
        342.72441581 
        342.71500486 
        342.72127883 
   
  
  
       2.23    2.23
       2.38    2.38
   
        385.80213955 
        385.80616507 
        385.80348139 
   
  
  
       1.49    1.55
       1.65    1.71
   
        379.60264357 
        379.60381497 
        379.60303404 
   
  
  
       1.59    1.60
       1.75    1.75
   
        445.40365926 
        445.44789321 
        445.41840391 
   
  
  
       1.70    1.70
       1.86    1.86
   
        504.26060921 
        504.24471470 
        504.25531104 
   
  
  
       1.71    1.71
       1.86    1.87
   
        607.53762670 
        607.52612546 
        607.53379295 
   
  
  
       1.62    1.62
       1.77    1.77
   
        559.57534385 
        559.56706736 
        559.57258502 
   
  
  
       1.58    1.59
       1.74    1.75
   
        365.32022602 
        365.32204336 
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    **************** 
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    **************** 
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    **************** 
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    **************** 
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    **************** 
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    **************** 
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    **************** 
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    **************** 
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    **************** 
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    **************** 
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    **************** 
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    **************** 
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    **************** 
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    **************** 
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    **************** 
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    **************** 
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    **************** 
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    **************** 
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    ****************