vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 01 09 
  19:24:12 
 
 
  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 
    
   
   
           0.78982471       0.43541131       0.10566448 
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           0.00583624       0.67786091       0.08657872 
           0.99900749       0.51662797       0.80432618 
           0.74439704       0.87168097       0.58620472 
           0.69457959       0.14446565       0.12672544 
           0.86963945       0.41801447       0.53548024 
           0.63080721       0.93175875       0.22255393 
           0.37982157       0.00097200       0.31073399 
           0.92650128       0.05347149       0.74838300 
           0.12633916       0.96705251       0.60284357 
           0.67908156       0.37163180       0.67952822 
           0.00194312       0.17099351       0.59415215 
           0.68109708       0.38403749       0.70010838 
           0.13859822       0.60401293       0.30433247 
           0.38813797       0.06599378       0.67840895 
           0.31179830       0.70814709       0.78187845 
           0.17506272       0.47838398       0.92904760 
           0.51024352       0.08952280       0.41618169 
           0.77132581       0.08850938       0.37782003 
           0.48113360       0.23207837       0.51476836 
           0.45300581       0.24518225       0.63238927 
           0.74972329       0.46988282       0.90436485 
           0.17893347       0.89315143       0.12673537 
           0.65724124       0.85978198       0.98601865 
           0.71501989       0.61875930       0.97514261 
           0.09837311       0.90623402       0.10195619 
           0.15683772       0.86269880       0.43737246 
           0.11983130       0.57057134       0.19939795 
           0.59413359       0.95894301       0.79307702 
           0.95376990       0.62327121       0.88537915 
           0.53350254       0.85429084       0.78961057 
           0.16673576       0.74920468       0.70137178 
           0.85671534       0.39471271       0.69755625 
           0.09268020       0.49419693       0.05035347 
           0.97095247       0.32611152       0.34866895 
           0.48787732       0.10216926       0.52064417 
           0.56043089       0.44592497       0.48929024 
           0.65097704       0.68795982       0.99537474 
           0.83465436       0.19899367       0.24239342 
           0.37545326       0.97657184       0.99879151 
           0.40368121       0.80837654       0.93722397 
           0.31607504       0.16621022       0.86800976 
           0.48303884       0.00238710       0.79121257 
   
  
  
           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 
   
  
  
          0.78982471       0.43541131       0.10566448 
          0.89872963       0.37103400       0.45111729 
          0.00583624       0.67786091       0.08657872 
          0.99900749       0.51662797       0.80432618 
          0.74439704       0.87168097       0.58620472 
          0.69457959       0.14446565       0.12672544 
          0.86963945       0.41801447       0.53548024 
          0.63080721       0.93175875       0.22255393 
          0.37982157       0.00097200       0.31073399 
          0.92650128       0.05347149       0.74838300 
          0.12633916       0.96705251       0.60284357 
          0.67908156       0.37163180       0.67952822 
          0.00194312       0.17099351       0.59415215 
          0.68109708       0.38403749       0.70010838 
          0.13859822       0.60401293       0.30433247 
          0.38813797       0.06599378       0.67840895 
          0.31179830       0.70814709       0.78187845 
          0.17506272       0.47838398       0.92904760 
          0.51024352       0.08952280       0.41618169 
          0.77132581       0.08850938       0.37782003 
          0.48113360       0.23207837       0.51476836 
          0.45300581       0.24518225       0.63238927 
          0.74972329       0.46988282       0.90436485 
          0.17893347       0.89315143       0.12673537 
          0.65724124       0.85978198       0.98601865 
          0.71501989       0.61875930       0.97514261 
          0.09837311       0.90623402       0.10195619 
          0.15683772       0.86269880       0.43737246 
          0.11983130       0.57057134       0.19939795 
          0.59413359       0.95894301       0.79307702 
          0.95376990       0.62327121       0.88537915 
          0.53350254       0.85429084       0.78961057 
          0.16673576       0.74920468       0.70137178 
          0.85671534       0.39471271       0.69755625 
          0.09268020       0.49419693       0.05035347 
          0.97095247       0.32611152       0.34866895 
          0.48787732       0.10216926       0.52064417 
          0.56043089       0.44592497       0.48929024 
          0.65097704       0.68795982       0.99537474 
          0.83465436       0.19899367       0.24239342 
          0.37545326       0.97657184       0.99879151 
          0.40368121       0.80837654       0.93722397 
          0.31607504       0.16621022       0.86800976 
          0.48303884       0.00238710       0.79121257 
  
 
 
  
       6.77    6.84
       6.89    6.96
   
         74.00007382 
        -76.57287462 
      -5296.59396444 
         46.83979978 
       5642.42690935 
      -5222.73511433 
         -0.03695572 
       -255.99325315 
       6953.63384995 
       1864.96847065 
       1865.00542636 
       1864.98078922 
   
  
  
       9.17    9.18
       9.17    9.18
   
        730.89587551 
        730.89428234 
        730.89534446 
   
  
  
       9.44    9.44
       9.44    9.45
   
        513.63639045 
        513.63939502 
        513.63739197 
   
  
  
       9.07    9.07
       9.07    9.07
   
        499.77016229 
        499.80670376 
        499.78234278 
   
  
  
       9.02    9.03
       9.06    9.06
   
        499.27083247 
        499.30322806 
        499.28163100 
   
  
  
      10.49   10.50
      10.66   10.67
   
        328.16106593 
        328.15580380 
        328.15931189 
   
  
  
      11.56   11.56
      11.70   11.70
   
      -1533.25334569 
      -1533.25674549 
      -1533.25447895 
   
  
  
      10.99   10.99
      11.13   11.14
   
        599.24481098 
        599.26400164 
        599.25120787 
   
  
  
      10.08   10.08
      10.23   10.23
   
        600.78224672 
        600.78093412 
        600.78180919 
   
  
  
       8.63    8.63
       8.78    8.78
   
        570.58966419 
        570.57619717 
        570.58517518 
   
  
  
       8.44    8.45
       8.60    8.61
   
        555.57018908 
        555.52391268 
        555.55476361 
   
  
  
       8.69    8.69
       8.83    8.84
   
        545.19680656 
        545.19961080 
        545.19774131 
   
  
  
       9.26    9.26
       9.40    9.40
   
        491.48138581 
        491.46192612 
        491.47489925 
   
  
  
       7.70    7.71
       7.85    7.86
   
        486.53691523 
        486.53566329 
        486.53649792 
   
  
  
       8.46    8.47
       8.61    8.61
   
        427.32183084 
        427.36295179 
        427.33553782 
   
  
  
       7.91    7.91
       8.06    8.07
   
        380.21118431 
        380.25571720 
        380.22602861 
   
  
  
       8.20    8.21
       8.35    8.36
   
        328.34949499 
        328.34392427 
        328.34763808 
   
  
  
       8.54    8.54
       8.68    8.69
   
        230.67102343 
        230.66952575 
        230.67052420 
   
  
  
       7.94    7.95
       8.09    8.10
   
        247.00044707 
        246.98443143 
        246.99510853 
   
  
  
       8.22    8.22
       8.36    8.37
   
        163.92680846 
        163.91066708 
        163.92142800 
   
  
  
       7.90    7.91
       8.05    8.06
   
        279.99975551 
        280.07103959 
        280.02351687 
   
  
  
       9.16    9.16
       9.31    9.31
   
      -1808.16133925 
      -1808.15602000 
      -1808.15956616 
   
  
  
       7.75    7.76
       7.91    7.91
   
        284.75101503 
        284.75847090 
        284.75350032 
   
  
  
       8.13    8.14
       8.29    8.30
   
        344.87065982 
        344.88666823 
        344.87599596 
   
  
  
       6.50    6.50
       6.65    6.65
   
        351.58451161 
        351.51663613 
        351.56188645 
   
  
  
       7.01    7.01
       7.16    7.16
   
        398.44211655 
        398.48094950 
        398.45506086 
   
  
  
       6.71    6.71
       6.86    6.86
   
        440.35276280 
        440.32862516 
        440.34471692 
   
  
  
       6.35    6.35
       6.50    6.50
   
        463.54335744 
        463.53402781 
        463.54024756 
   
  
  
       6.23    6.23
       6.38    6.38
   
        488.60073344 
        488.56779019 
        488.58975236 
   
  
  
       6.14    6.14
       6.30    6.30
   
        498.45005047 
        498.40102505 
        498.43370866 
   
  
  
       5.66    5.67
       5.82    5.82
   
        509.43039916 
        509.45356270 
        509.43812034 
   
  
  
       5.38    5.38
       5.53    5.54
   
        508.58687922 
        508.60918692 
        508.59431512 
   
  
  
       4.18    4.19
       4.33    4.34
   
        494.81577661 
        494.84066639 
        494.82407320 
   
  
  
       4.24    4.24
       4.40    4.40
   
        507.50090013 
        507.52439184 
        507.50873070 
   
  
  
       4.79    4.79
       4.94    4.94
   
        509.64747889 
        509.64565178 
        509.64686986 
   
  
  
       4.66    4.67
       4.82    4.83
   
        518.55202961 
        518.51680180 
        518.54028701 
   
  
  
       3.90    3.90
       4.06    4.06
   
        514.79817770 
        514.85101808 
        514.81579116 
   
  
  
       4.15    4.16
       4.31    4.31
   
        513.63132363 
        513.64992429 
        513.63752385 
   
  
  
       3.64    3.64
       3.79    3.79
   
        514.20158860 
        514.22168010 
        514.20828577 
   
  
  
       3.48    3.49
       3.63    3.63
   
        509.14716158 
        509.16545444 
        509.15325920 
   
  
  
       3.60    3.60
       3.76    3.76
   
        514.62861094 
        514.64044461 
        514.63255549 
   
  
  
       3.60    3.60
       3.75    3.75
   
        514.18981740 
        514.18980383 
        514.18981288 
   
  
  
       3.90    3.90
       4.05    4.06
   
        514.12817882 
        514.12821462 
        514.12819075 
   
  
  
       4.47    4.48
       4.62    4.63
   
        514.13875013 
        514.13838600 
        514.13862876 
   
  
  
       4.05    4.05
       4.20    4.20
   
        514.14026085 
        514.15563225 
        514.14538465 
   
  
  
       4.00    4.00
       4.16    4.16
   
        509.25389583 
        509.26103134 
        509.25627434 
   
  
  
       4.07    4.07
       4.22    4.22
   
        500.06501497 
        500.09889868 
        500.07630954 
   
  
  
       3.48    3.49
       3.64    3.64
   
        502.32801358 
        502.35837070 
        502.33813262 
   
  
  
       3.26    3.27
       3.43    3.43
   
        518.72245048 
        518.74252256 
        518.72914117 
   
  
  
       4.48    4.48
       4.64    4.64
   
        519.89529180 
        519.89094664 
        519.89384342 
   
  
  
       3.29    3.29
       3.44    3.44
   
        364.55547563 
        364.59894199 
        364.56996442 
   
  
  
       4.92    4.93
       5.08    5.08
   
      -1849.59701226 
      -1849.60176925 
      -1849.59859792 
   
  
  
       3.79    3.79
       3.95    3.95
   
        386.80514786 
        386.82284691 
        386.81104754 
   
  
  
       3.33    3.33
       3.48    3.49
   
        399.66015029 
        399.64992691 
        399.65674250 
   
  
  
       4.54    4.54
       4.70    4.70
   
        293.63892018 
        293.66114189 
        293.64632742 
   
  
  
       3.37    3.37
       3.52    3.53
   
        323.15872639 
        323.16434062 
        323.16059780 
   
  
  
       3.66    3.66
       3.81    3.82
   
      -5421.11620035 
      -5421.12478022 
      -5421.11906031 
   
  
  
       3.03    3.03
       3.18    3.19
   
        302.68414597 
        302.70633199 
        302.69154131 
   
  
  
       3.35    3.35
       3.50    3.51
   
        158.61959977 
        158.64153885 
        158.62691279 
   
  
  
       3.07    3.08
       3.23    3.23
   
        281.42819619 
        281.43636363 
        281.43091867 
   
  
  
       3.13    3.13
       3.29    3.29
   
        497.13207982 
        497.10057683 
        497.12157882 
   
  
  
       2.79    2.80
       2.94    2.95
   
        474.73101208 
        474.71526726 
        474.72576381 
   
  
  
       3.10    3.10
       3.25    3.26
   
        481.71863627 
        481.77619451 
        481.73782235 
   
  
  
       1.79    1.80
       1.95    1.96
   
        455.19535597 
        455.23168532 
        455.20746576 
   
  
  
       1.67    1.68
       1.83    1.83
   
        461.28400031 
        461.29372084 
        461.28724049 
   
  
  
       1.76    1.76
       1.91    1.92
   
        281.55651788 
        281.57772095 
        281.56358557 
   
  
  
       1.60    1.60
       1.75    1.76
   
        342.96977454 
        342.98904259 
        342.97619723 
   
  
  
       1.74    1.74
       1.89    1.90
   
        307.07698393 
        307.09804612 
        307.08400466 
   
  
  
       2.19    2.20
       2.35    2.36
   
     -61405.63499727 
     -61405.64443708 
     -61405.63814387 
   
  
  
       1.57    1.58
       1.73    1.73
   
         44.53193262 
         44.54564808 
         44.53650444 
   
  
  
       1.98    1.99
       2.13    2.14
   
         33.56898770 
         33.57424096 
         33.57073879 
   
  
  
       1.38    1.38
       1.53    1.54
   
        280.77010072 
        280.79513660 
        280.77844602 
   
  
  
       1.53    1.53
       1.69    1.69
   
        242.64394470 
        242.66331308 
        242.65040083 
   
  
  
       2.05    2.06
       2.21    2.21
   
        202.25472256 
        202.27571335 
        202.26171949 
   
  
  
       2.03    2.04
       2.18    2.19
   
        155.58877291 
        155.60514935 
        155.59423172 
   
  
  
       1.81    1.81
       1.97    1.97
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.06    2.07
       2.21    2.22
   
        255.41719087 
        255.46624613 
        255.43354262 
   
  
  
       2.00    2.01
       2.16    2.16
   
        223.84094052 
        223.80976317 
        223.83054807 
   
  
  
       2.08    2.09
       2.24    2.25
   
        192.84504152 
        192.86769729 
        192.85259344 
   
  
  
       1.37    1.37
       1.52    1.52
   
        188.33870488 
        188.33876183 
        188.33872386 
   
  
  
       1.89    1.90
       2.05    2.05
   
        358.36957495 
        358.35028172 
        358.36314387 
   
  
  
       1.96    1.96
       2.12    2.12
   
        413.23895801 
        413.21730313 
        413.23173971 
   
  
  
       1.47    1.48
       1.63    1.64
   
        437.52798819 
        437.55628449 
        437.53742029 
   
  
  
       2.02    2.02
       2.18    2.19
   
        467.53918928 
        467.49498157 
        467.52445338 
   
  
  
       1.71    1.72
       1.87    1.88
   
    **************** 
    **************** 
    ****************