vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 14 
  23:16:42 
 
 
  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      0.99000000      0.32000000      0.72000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.76984869       0.00000000       0.00000000 
            0.13032753      24.44030431       0.00000000 
            0.04503821      -0.11094984      10.84033246 
    
       2058.55166937 
    
            0.12870264      -0.00068630      -0.00054174 
            0.00000000       0.04091602       0.00041877 
            0.00000000       0.00000000       0.09224809 
    
   
   
           0.01605706       0.46753769       0.07815101 
           0.00021563       0.54692488       0.44171005 
           0.26713608       0.46737485       0.19891122 
           0.25098799       0.54986813       0.31834419 
           0.00022623       0.23787307       0.43217957 
           0.25022623       0.23787307       0.31719417 
           0.00022623       0.31079043       0.06279671 
           0.25022623       0.31079043       0.18657703 
           0.00022623       0.38729456       0.43640916 
           0.25022623       0.38729456       0.31296458 
           0.00440671       0.46706720       0.56109248 
           0.00624417       0.54994412       0.95642657 
           0.25048754       0.47145508       0.69418740 
           0.24534519       0.55281257       0.82590160 
           0.25022623       0.23787307       0.81719417 
           0.00022623       0.31079043       0.56279671 
           0.25022623       0.31079043       0.68657703 
           0.00022623       0.38729456       0.93640916 
           0.25022623       0.38729456       0.81296458 
           0.50931628       0.46824682       0.06300449 
           0.50314832       0.55805461       0.44144717 
           0.75224310       0.46716086       0.19744587 
           0.75138616       0.54815824       0.31642181 
           0.50022623       0.23787307       0.43217957 
           0.75022623       0.23787307       0.31719417 
           0.50022623       0.31079043       0.06279671 
           0.75022623       0.31079043       0.18657703 
           0.50022623       0.38729456       0.43640916 
           0.75022623       0.38729456       0.31296458 
           0.49695356       0.47228531       0.56055137 
           0.48490266       0.55367077       0.95622844 
           0.75034232       0.46824264       0.68093599 
           0.74652328       0.53474022       0.84751089 
           0.50022623       0.23787307       0.93217957 
           0.75022623       0.23787307       0.81719417 
           0.75022623       0.31079043       0.68657703 
           0.50022623       0.38729456       0.93640916 
           0.75022623       0.38729456       0.81296458 
           0.20405403       0.67862019       0.76961422 
           0.56682499       0.68460408       0.48012536 
           0.24246124       0.61399660       0.75700903 
           0.52245355       0.62132637       0.51508483 
           0.99407803       0.59422054       0.55409089 
           0.25177611       0.60203482       0.21725214 
           0.00830126       0.60542558       0.05024643 
           0.75953033       0.60049686       0.21466774 
           0.49958766       0.60682026       0.05481671 
           0.71874635       0.47721584       0.93799063 
           0.22782024       0.69183958       0.61532099 
           0.00224664       0.18079744       0.52831440 
           0.25678095       0.17775265       0.24015073 
           0.24137245       0.17973650       0.73139124 
           0.51647314       0.19566350       0.54898598 
           0.73737650       0.18196944       0.22055614 
           0.48844627       0.18208371       0.02546843 
           0.80558083       0.17647652       0.76424844 
           0.35703297       0.71351432       0.89992540 
           0.42180235       0.71159102       0.33742893 
           0.95926613       0.70093409       0.81162742 
           0.82184595       0.69399940       0.43205388 
           0.94039528       0.62885166       0.53102267 
           0.15180117       0.60485063       0.15807662 
           0.90778152       0.60686889       0.11025481 
           0.65724223       0.60449460       0.15830123 
           0.40160094       0.60913591       0.11723673 
           0.82377010       0.45358458       0.94407769 
           0.02194479       0.14597843       0.48574077 
           0.32299990       0.17675443       0.16183655 
           0.14776937       0.17877724       0.66981664 
           0.42099391       0.18896036       0.60767127 
           0.76064515       0.14617447       0.25523533 
           0.58782852       0.17827921       0.08153236 
           0.85299935       0.17478729       0.67996195 
           0.55455492       0.72742789       0.59307631 
           0.17195965       0.75202172       0.61204174 
   
  
  
           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 
          45 
          46 
          47 
          48 
          49 
          50 
          51 
          52 
          53 
          54 
          55 
          56 
          57 
          58 
          59 
          60 
          61 
          62 
          63 
          64 
          65 
          66 
          67 
          68 
          69 
          70 
          71 
          72 
          73 
          74 
          75 
  
 
 
  
          3        1        2 
         0.00000000       0.00000000       0.00000000 
         0.33333333      -0.00000000       0.00000000 
         0.00000000       1.00000000      -0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.33333333       0.00000000      -0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.33333333       0.00000000       0.50000000 
  
  
          0.16666667 
          0.33333333 
          0.16666667 
          0.33333333 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       613.61400000
         0.00001000
       38
       10
      195
       -1
       -1
       311.00000000
        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      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
           0.00000001
           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
      120
       54
       80
      240
      108
    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      0.99000000      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
  
  
        3
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000     35.45300000      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
        16.46841335
         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  
  
 
 
        75 
         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
    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
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    Cl   3
    Cl   3
    Cl   3
    Cl   3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    F    5
    F    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      40Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      16O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       4Cl     35.45300000      7.00000000  PAW_PBE Cl 06Sep2000                  
      13H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       2F      18.99800000      7.00000000  PAW_PBE F 08Apr2002                   
   
  
 
 
  
   
           7.76984869       0.00000000       0.00000000 
           0.13032753      24.44030431       0.00000000 
           0.04503821      -0.11094984      10.84033246 
   
      2058.55166937 
   
           0.12870264      -0.00068630      -0.00054174 
           0.00000000       0.04091602       0.00041877 
           0.00000000       0.00000000       0.09224809 
   
  
  
          0.01605706       0.46753769       0.07815101 
          0.00021563       0.54692488       0.44171005 
          0.26713608       0.46737485       0.19891122 
          0.25098799       0.54986813       0.31834419 
          0.00022623       0.23787307       0.43217957 
          0.25022623       0.23787307       0.31719417 
          0.00022623       0.31079043       0.06279671 
          0.25022623       0.31079043       0.18657703 
          0.00022623       0.38729456       0.43640916 
          0.25022623       0.38729456       0.31296458 
          0.00440671       0.46706720       0.56109248 
          0.00624417       0.54994412       0.95642657 
          0.25048754       0.47145508       0.69418740 
          0.24534519       0.55281257       0.82590160 
          0.25022623       0.23787307       0.81719417 
          0.00022623       0.31079043       0.56279671 
          0.25022623       0.31079043       0.68657703 
          0.00022623       0.38729456       0.93640916 
          0.25022623       0.38729456       0.81296458 
          0.50931628       0.46824682       0.06300449 
          0.50314832       0.55805461       0.44144717 
          0.75224310       0.46716086       0.19744587 
          0.75138616       0.54815824       0.31642181 
          0.50022623       0.23787307       0.43217957 
          0.75022623       0.23787307       0.31719417 
          0.50022623       0.31079043       0.06279671 
          0.75022623       0.31079043       0.18657703 
          0.50022623       0.38729456       0.43640916 
          0.75022623       0.38729456       0.31296458 
          0.49695356       0.47228531       0.56055137 
          0.48490266       0.55367077       0.95622844 
          0.75034232       0.46824264       0.68093599 
          0.74652328       0.53474022       0.84751089 
          0.50022623       0.23787307       0.93217957 
          0.75022623       0.23787307       0.81719417 
          0.75022623       0.31079043       0.68657703 
          0.50022623       0.38729456       0.93640916 
          0.75022623       0.38729456       0.81296458 
          0.20405403       0.67862019       0.76961422 
          0.56682499       0.68460408       0.48012536 
          0.24246124       0.61399660       0.75700903 
          0.52245355       0.62132637       0.51508483 
          0.99407803       0.59422054       0.55409089 
          0.25177611       0.60203482       0.21725214 
          0.00830126       0.60542558       0.05024643 
          0.75953033       0.60049686       0.21466774 
          0.49958766       0.60682026       0.05481671 
          0.71874635       0.47721584       0.93799063 
          0.22782024       0.69183958       0.61532099 
          0.00224664       0.18079744       0.52831440 
          0.25678095       0.17775265       0.24015073 
          0.24137245       0.17973650       0.73139124 
          0.51647314       0.19566350       0.54898598 
          0.73737650       0.18196944       0.22055614 
          0.48844627       0.18208371       0.02546843 
          0.80558083       0.17647652       0.76424844 
          0.35703297       0.71351432       0.89992540 
          0.42180235       0.71159102       0.33742893 
          0.95926613       0.70093409       0.81162742 
          0.82184595       0.69399940       0.43205388 
          0.94039528       0.62885166       0.53102267 
          0.15180117       0.60485063       0.15807662 
          0.90778152       0.60686889       0.11025481 
          0.65724223       0.60449460       0.15830123 
          0.40160094       0.60913591       0.11723673 
          0.82377010       0.45358458       0.94407769 
          0.02194479       0.14597843       0.48574077 
          0.32299990       0.17675443       0.16183655 
          0.14776937       0.17877724       0.66981664 
          0.42099391       0.18896036       0.60767127 
          0.76064515       0.14617447       0.25523533 
          0.58782852       0.17827921       0.08153236 
          0.85299935       0.17478729       0.67996195 
          0.55455492       0.72742789       0.59307631 
          0.17195965       0.75202172       0.61204174 
  
  
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      13.10   13.11
      13.63   13.64
   
        137.43675436 
      18569.16867442 
     -31457.45062460 
        257.65431627 
      11477.00382189 
     -10812.82478760 
          0.00351567 
       -398.54322985 
      14158.83048887 
       1931.27892943 
       1931.27541376 
       1931.27775754 
   
  
  
      15.90   15.91
      15.91   15.91
   
       -109.59943887 
       -109.58233907 
       -109.59373894 
   
  
  
      14.23   14.24
      14.23   14.24
   
       -413.83766042 
       -413.82270330 
       -413.83267471 
   
  
  
      15.16   15.17
      15.16   15.17
   
       -426.65815631 
       -426.64406461 
       -426.65345908 
   
  
  
      15.66   15.67
      15.79   15.80
   
       -427.13561590 
       -427.15325651 
       -427.14149610 
   
  
  
      15.53   15.53
      16.23   16.24
   
       -400.01601283 
       -400.01102468 
       -400.01435012 
   
  
  
      13.66   13.67
      14.35   14.36
   
       -400.10320295 
       -400.12657224 
       -400.11099272 
   
  
  
      15.53   15.54
      16.17   16.18
   
       -399.61168877 
       -399.52920274 
       -399.58419343 
   
  
  
      17.71   17.72
      18.32   18.33
   
       -399.84425898 
       -399.83506521 
       -399.84119439 
   
  
  
      14.08   14.09
      14.63   14.64
   
       -399.78588133 
       -399.77818381 
       -399.78331549 
   
  
  
      16.03   16.04
      16.69   16.71
   
       -399.58892945 
       -399.58297568 
       -399.58694486 
   
  
  
      14.59   14.61
      15.53   15.54
   
       -399.52195194 
       -399.51663980 
       -399.52018123 
   
  
  
      14.59   14.60
      15.13   15.15
   
       -399.50267241 
       -399.49770686 
       -399.50101723 
   
  
  
      17.18   17.20
      17.87   17.89
   
       -399.48334806 
       -399.47886556 
       -399.48185389 
   
  
  
      17.03   17.04
      17.66   17.67
   
       -399.45737203 
       -399.48486265 
       -399.46653557 
   
  
  
      14.89   14.91
      15.49   15.51
   
       -399.47101437 
       -399.42230378 
       -399.45477751 
   
  
  
      14.55   14.59
      15.12   15.16
   
       -399.44739012 
       -399.46082221 
       -399.45186748 
   
  
  
      14.22   14.25
      14.87   14.90
   
       -399.45897827 
       -399.44309186 
       -399.45368280 
   
  
  
      16.73   16.76
      17.37   17.40
   
       -399.45600544 
       -399.46261681 
       -399.45820923 
   
  
  
      14.36   14.39
      14.96   14.98
   
       -399.45878326 
       -399.46556817 
       -399.46104489 
   
  
  
      14.77   14.79
      15.44   15.45
   
       -399.45924086 
       -399.46347189 
       -399.46065120 
   
  
  
      14.81   14.82
      15.41   15.43
   
       -399.45997607 
       -399.47083576 
       -399.46359596 
   
  
  
      14.74   14.76
      15.44   15.46
   
       -399.46015434 
       -399.46071907 
       -399.46034258 
   
  
  
      13.70   13.72
      14.29   14.31
   
       -399.46060268 
       -399.45895388 
       -399.46005308