vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 01 09 
  20:04:58 
 
 
  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 
    
   
   
           0.90662088       0.79482111       0.57560868 
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           0.68230082       0.05640002       0.88865285 
           0.48934493       0.25721250       0.01134630 
           0.67666615       0.81021272       0.95117348 
           0.11673915       0.44328421       0.21514338 
           0.76337640       0.02014897       0.69922457 
           0.00077367       0.04773877       0.71202967 
           0.91233558       0.14943371       0.43376685 
           0.28120329       0.89721579       0.19537717 
           0.19598829       0.14940973       0.32526655 
           0.23909106       0.99659812       0.57536491 
           0.28315644       0.49142046       0.07485821 
           0.22858085       0.09023804       0.26871971 
           0.92692970       0.69832187       0.51643437 
           0.04429094       0.81605319       0.51034145 
           0.69893230       0.67162004       0.13780324 
           0.61295330       0.95884096       0.53467483 
           0.34170095       0.72241787       0.30324777 
           0.55167532       0.28280518       0.22309106 
           0.85712387       0.91281936       0.83189444 
           0.40856098       0.45732390       0.63049286 
           0.76235550       0.17648491       0.45662501 
           0.82544020       0.31625858       0.38680614 
           0.91617138       0.49711345       0.55553120 
           0.14404581       0.23485816       0.54501805 
           0.63947602       0.99705772       0.67965337 
           0.76361009       0.22050122       0.24451332 
           0.87569240       0.68248771       0.29094765 
           0.49213572       0.58522029       0.82770127 
           0.38011207       0.49557613       0.98372708 
           0.64357323       0.38355718       0.69971004 
           0.58507902       0.08831182       0.64784033 
           0.89108774       0.58985473       0.20918871 
           0.32161563       0.71276905       0.58667922 
           0.92444888       0.22576197       0.93997455 
           0.59757281       0.51511057       0.18174306 
           0.51800487       0.93853763       0.67303204 
           0.28358801       0.39359709       0.96922561 
           0.35649147       0.35224701       0.55743835 
           0.48044928       0.66290792       0.08323485 
           0.20070213       0.95906012       0.10490990 
           0.49949334       0.40763438       0.40535535 
           0.11911689       0.99681305       0.64639080 
   
  
  
           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 
   
  
  
          0.90662088       0.79482111       0.57560868 
          0.20416827       0.12056853       0.29182009 
          0.68230082       0.05640002       0.88865285 
          0.48934493       0.25721250       0.01134630 
          0.67666615       0.81021272       0.95117348 
          0.11673915       0.44328421       0.21514338 
          0.76337640       0.02014897       0.69922457 
          0.00077367       0.04773877       0.71202967 
          0.91233558       0.14943371       0.43376685 
          0.28120329       0.89721579       0.19537717 
          0.19598829       0.14940973       0.32526655 
          0.23909106       0.99659812       0.57536491 
          0.28315644       0.49142046       0.07485821 
          0.22858085       0.09023804       0.26871971 
          0.92692970       0.69832187       0.51643437 
          0.04429094       0.81605319       0.51034145 
          0.69893230       0.67162004       0.13780324 
          0.61295330       0.95884096       0.53467483 
          0.34170095       0.72241787       0.30324777 
          0.55167532       0.28280518       0.22309106 
          0.85712387       0.91281936       0.83189444 
          0.40856098       0.45732390       0.63049286 
          0.76235550       0.17648491       0.45662501 
          0.82544020       0.31625858       0.38680614 
          0.91617138       0.49711345       0.55553120 
          0.14404581       0.23485816       0.54501805 
          0.63947602       0.99705772       0.67965337 
          0.76361009       0.22050122       0.24451332 
          0.87569240       0.68248771       0.29094765 
          0.49213572       0.58522029       0.82770127 
          0.38011207       0.49557613       0.98372708 
          0.64357323       0.38355718       0.69971004 
          0.58507902       0.08831182       0.64784033 
          0.89108774       0.58985473       0.20918871 
          0.32161563       0.71276905       0.58667922 
          0.92444888       0.22576197       0.93997455 
          0.59757281       0.51511057       0.18174306 
          0.51800487       0.93853763       0.67303204 
          0.28358801       0.39359709       0.96922561 
          0.35649147       0.35224701       0.55743835 
          0.48044928       0.66290792       0.08323485 
          0.20070213       0.95906012       0.10490990 
          0.49949334       0.40763438       0.40535535 
          0.11911689       0.99681305       0.64639080 
  
 
 
  
       6.77    6.89
       6.89    7.01
   
         74.00007382 
      -1145.21479779 
      -4712.65956844 
         45.54696627 
       5642.42690935 
      -5222.73511433 
          0.01727390 
       -284.12787529 
       6953.63384995 
       1350.88771744 
       1350.87044354 
       1350.88195948 
   
  
  
       8.75    8.75
       8.75    8.75
   
        312.82571680 
        312.81689805 
        312.82277722 
   
  
  
       8.96    8.96
       8.96    8.96
   
        130.80456615 
        130.79565784 
        130.80159671 
   
  
  
       8.69    8.69
       8.69    8.69
   
        120.85030499 
        120.83497824 
        120.84519607 
   
  
  
       8.94    8.95
       8.97    8.98
   
        120.51078039 
        120.49637897 
        120.50597991 
   
  
  
      10.44   10.45
      10.59   10.60
   
        -37.29894585 
        -37.27902337 
        -37.29230502 
   
  
  
      11.35   11.35
      11.49   11.50
   
      -1056.20261681 
      -1056.20912549 
      -1056.20478637 
   
  
  
       9.76    9.76
       9.91    9.92
   
        229.32413541 
        229.32573516 
        229.32466866 
   
  
  
       8.83    8.84
       8.99    8.99
   
        177.31469383 
        177.32238655 
        177.31725807 
   
  
  
       8.40    8.41
       8.55    8.56
   
        177.00012050 
        176.97692473 
        176.99238858 
   
  
  
       7.96    7.96
       8.13    8.13
   
        151.89196011 
        151.89167245 
        151.89186422 
   
  
  
       8.11    8.12
       8.27    8.28
   
        152.52248192 
        152.51989580 
        152.52161988 
   
  
  
       9.31    9.32
       9.47    9.47
   
        166.04730787 
        166.00204234 
        166.03221936 
   
  
  
       8.22    8.22
       8.36    8.37
   
        164.12365187 
        164.09495161 
        164.11408511 
   
  
  
       8.52    8.52
       8.66    8.66
   
        165.79169337 
        165.77478572 
        165.78605749 
   
  
  
       8.49    8.50
       8.65    8.65
   
        186.63922052 
        186.58942589 
        186.62262231 
   
  
  
       7.91    7.92
       8.08    8.08
   
        184.39658023 
        184.35527869 
        184.38281305 
   
  
  
       8.72    8.72
       8.87    8.87
   
        138.18940127 
        138.20095871 
        138.19325375 
   
  
  
       8.13    8.13
       8.28    8.28
   
        148.89845880 
        148.88792954 
        148.89494905 
   
  
  
       9.26    9.26
       9.41    9.41
   
        144.66632955 
        144.64494229 
        144.65920046 
   
  
  
       8.78    8.79
       8.94    8.94
   
        164.19580620 
        164.20763601 
        164.19974947 
   
  
  
       8.37    8.37
       8.54    8.54
   
        168.03698974 
        168.06086373 
        168.04494774 
   
  
  
       7.27    7.27
       7.42    7.42
   
        100.47646255 
        100.47630497 
        100.47641002 
   
  
  
       7.84    7.85
       7.99    8.00
   
        -91.70020339 
        -91.68983497 
        -91.69674725 
   
  
  
       8.59    8.60
       8.75    8.76
   
       -382.09864739 
       -382.09954053 
       -382.09894511 
   
  
  
       8.87    8.87
       9.04    9.05
   
       -541.81094614 
       -541.75846187 
       -541.79345138 
   
  
  
       8.10    8.11
       8.26    8.27
   
       -385.24597941 
       -385.21315523 
       -385.23503802 
   
  
  
       8.76    8.77
       8.92    8.93
   
       -305.96601732 
       -305.94962799 
       -305.96055421 
   
  
  
       7.63    7.64
       7.81    7.81
   
       -360.03171108 
       -360.01620345 
       -360.02654187 
   
  
  
       8.41    8.41
       8.57    8.57
   
       -378.64454607 
       -378.63603174 
       -378.64170796 
   
  
  
       6.64    6.64
       6.79    6.80
   
       -350.40417513 
       -350.39244398 
       -350.40026475 
   
  
  
       7.47    7.48
       7.63    7.64
   
       -326.64701827 
       -326.63581662 
       -326.64328438 
   
  
  
       7.49    7.50
       7.66    7.67
   
       -318.46129019 
       -318.45250059 
       -318.45836032 
   
  
  
       7.38    7.38
       7.54    7.54
   
       -311.32933150 
       -311.33481986 
       -311.33116095 
   
  
  
       7.31    7.31
       7.47    7.47
   
       -293.02589256 
       -293.01288826 
       -293.02155779 
   
  
  
       7.96    7.97
       8.13    8.13
   
       -124.48897849 
       -124.47629210 
       -124.48474969 
   
  
  
       8.97    8.98
       9.13    9.14
   
        -33.82903345 
        -33.78842903 
        -33.81549865 
   
  
  
       8.38    8.38
       8.54    8.54
   
        -32.67710685 
        -32.66357755 
        -32.67259708 
   
  
  
       8.84    8.84
       9.01    9.01
   
        -50.97358210 
        -50.95699335 
        -50.96805251 
   
  
  
       8.78    8.79
       8.94    8.95
   
        -55.67020339 
        -55.66419484 
        -55.66820054 
   
  
  
       9.46    9.47
       9.63    9.64
   
        -43.17043439 
        -43.15656041 
        -43.16580973 
   
  
  
       8.00    8.01
       8.17    8.17
   
        -49.54332526 
        -49.52920378 
        -49.53861810 
   
  
  
       9.32    9.33
       9.50    9.51
   
        -32.76328869 
        -32.76706264 
        -32.76454668 
   
  
  
       7.83    7.84
       8.00    8.01
   
        -57.50975862 
        -57.50270832 
        -57.50740852 
   
  
  
       8.16    8.16
       8.31    8.32
   
        -40.03561065 
        -40.01485608 
        -40.02869246 
   
  
  
       7.64    7.64
       7.80    7.80
   
         94.16587029 
         94.17319543 
         94.16831200 
   
  
  
       6.90    6.90
       7.06    7.06
   
        120.89507534 
        120.84500426 
        120.87838498 
   
  
  
       6.87    6.87
       7.04    7.04
   
        124.32319571 
        124.33089302 
        124.32576148 
   
  
  
       6.28    6.29
       6.45    6.46
   
        121.54794722 
        121.53293596 
        121.54294347 
   
  
  
       5.70    5.70
       5.86    5.86
   
        117.71645228 
        117.67916319 
        117.70402259 
   
  
  
       5.55    5.55
       5.70    5.71
   
        -35.44994196 
        -35.50327110 
        -35.46771834 
   
  
  
       5.03    5.03
       5.19    5.19
   
        -38.36288163 
        -38.34651300 
        -38.35742542 
   
  
  
       5.80    5.80
       5.96    5.96
   
        -54.12987070 
        -54.11197292 
        -54.12390478 
   
  
  
       5.57    5.58
       5.74    5.74
   
        -97.45421961 
        -97.40800378 
        -97.43881433 
   
  
  
       5.55    5.55
       5.71    5.71
   
       -156.61162389 
       -156.59884161 
       -156.60736313 
   
  
  
       5.19    5.20
       5.35    5.35
   
       -240.53740280 
       -240.53523991 
       -240.53668184 
   
  
  
       5.03    5.03
       5.19    5.19
   
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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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    **************** 
    **************** 
    ****************