vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 14 
  23:16:38 
 
 
  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
 
 
  
   
    
            7.76984868       0.00000000       0.00000000 
            0.13032753      24.44030431       0.00000000 
            0.04503821      -0.11094984      10.84033246 
    
       2058.55166672 
    
            0.12870264      -0.00068630      -0.00054174 
            0.00000000       0.04091602       0.00041877 
            0.00000000       0.00000000       0.09224809 
    
   
   
           0.01461442       0.46625485       0.07808658 
           0.99501859       0.54749042       0.44139752 
           0.26599281       0.46618325       0.19663631 
           0.24421464       0.54815228       0.31254558 
           0.00009696       0.23743847       0.43235850 
           0.25009696       0.23743847       0.31737310 
           0.00009696       0.31035583       0.06297564 
           0.25009696       0.31035583       0.18675596 
           0.00009696       0.38685996       0.43658809 
           0.25009696       0.38685996       0.31314351 
           0.00290256       0.46726085       0.56081605 
           0.00388819       0.54977582       0.95684763 
           0.24850147       0.47038922       0.69553293 
           0.24347415       0.55233972       0.82698690 
           0.25009696       0.23743847       0.81737310 
           0.00009696       0.31035583       0.56297564 
           0.25009696       0.31035583       0.68675596 
           0.00009696       0.38685996       0.93658809 
           0.25009696       0.38685996       0.81314351 
           0.51070695       0.46768152       0.06090418 
           0.49828683       0.55607869       0.43953827 
           0.75183363       0.46596923       0.19685980 
           0.74999241       0.54731637       0.31152384 
           0.50009696       0.23743847       0.43235850 
           0.75009696       0.23743847       0.31737310 
           0.50009696       0.31035583       0.06297564 
           0.75009696       0.31035583       0.18675596 
           0.50009696       0.38685996       0.43658809 
           0.75009696       0.38685996       0.31314351 
           0.49425039       0.46916132       0.56048289 
           0.48242075       0.55399959       0.95764023 
           0.74839525       0.46788113       0.68167675 
           0.74315165       0.53490841       0.84750730 
           0.50009696       0.23743847       0.93235850 
           0.75009696       0.23743847       0.81737310 
           0.75009696       0.31035583       0.68675596 
           0.50009696       0.38685996       0.93658809 
           0.75009696       0.38685996       0.81314351 
           0.24665735       0.67959978       0.73971028 
           0.48604117       0.69151602       0.51606756 
           0.23712307       0.61079208       0.75821799 
           0.52183598       0.61506637       0.50653870 
           0.99338590       0.59670729       0.54525354 
           0.24728940       0.60064310       0.21527475 
           0.00486957       0.60466898       0.05026610 
           0.75613805       0.60030442       0.21512201 
           0.49813464       0.60601457       0.05720168 
           0.71751559       0.47723621       0.93967801 
           0.30356480       0.67919549       0.59450116 
           0.00253181       0.18046332       0.52832986 
           0.25629285       0.17749114       0.24047831 
           0.24095725       0.17939472       0.73223014 
           0.51692517       0.19522058       0.54888981 
           0.73652124       0.18166165       0.22104545 
           0.48767270       0.18189850       0.02573888 
           0.80644728       0.17628939       0.76509775 
           0.42936236       0.70852817       0.86276958 
           0.42645366       0.70856545       0.33717800 
           0.00488129       0.70567386       0.78354308 
           0.78206447       0.69488216       0.52885005 
           0.91236449       0.62868561       0.53421186 
           0.14788405       0.60524597       0.15651613 
           0.90401120       0.60739710       0.10916037 
           0.65360637       0.60653998       0.16013548 
           0.39895771       0.60991012       0.11785227 
           0.82211715       0.45327419       0.94503720 
           0.02106069       0.14533548       0.48660010 
           0.32320597       0.17589251       0.16241374 
           0.14754083       0.17794047       0.67066851 
           0.42135050       0.18775012       0.60711391 
           0.76186361       0.14562312       0.25424708 
           0.58744426       0.17737687       0.08113386 
           0.85302457       0.17387597       0.68071479 
           0.50933759       0.75368986       0.57271183 
           0.21869290       0.77550258       0.63759470 
   
  
  
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          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
        16.46841333
         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                   
   
  
 
 
  
   
           7.76984868       0.00000000       0.00000000 
           0.13032753      24.44030431       0.00000000 
           0.04503821      -0.11094984      10.84033246 
   
      2058.55166672 
   
           0.12870264      -0.00068630      -0.00054174 
           0.00000000       0.04091602       0.00041877 
           0.00000000       0.00000000       0.09224809 
   
  
  
          0.01461442       0.46625485       0.07808658 
          0.99501859       0.54749042       0.44139752 
          0.26599281       0.46618325       0.19663631 
          0.24421464       0.54815228       0.31254558 
          0.00009696       0.23743847       0.43235850 
          0.25009696       0.23743847       0.31737310 
          0.00009696       0.31035583       0.06297564 
          0.25009696       0.31035583       0.18675596 
          0.00009696       0.38685996       0.43658809 
          0.25009696       0.38685996       0.31314351 
          0.00290256       0.46726085       0.56081605 
          0.00388819       0.54977582       0.95684763 
          0.24850147       0.47038922       0.69553293 
          0.24347415       0.55233972       0.82698690 
          0.25009696       0.23743847       0.81737310 
          0.00009696       0.31035583       0.56297564 
          0.25009696       0.31035583       0.68675596 
          0.00009696       0.38685996       0.93658809 
          0.25009696       0.38685996       0.81314351 
          0.51070695       0.46768152       0.06090418 
          0.49828683       0.55607869       0.43953827 
          0.75183363       0.46596923       0.19685980 
          0.74999241       0.54731637       0.31152384 
          0.50009696       0.23743847       0.43235850 
          0.75009696       0.23743847       0.31737310 
          0.50009696       0.31035583       0.06297564 
          0.75009696       0.31035583       0.18675596 
          0.50009696       0.38685996       0.43658809 
          0.75009696       0.38685996       0.31314351 
          0.49425039       0.46916132       0.56048289 
          0.48242075       0.55399959       0.95764023 
          0.74839525       0.46788113       0.68167675 
          0.74315165       0.53490841       0.84750730 
          0.50009696       0.23743847       0.93235850 
          0.75009696       0.23743847       0.81737310 
          0.75009696       0.31035583       0.68675596 
          0.50009696       0.38685996       0.93658809 
          0.75009696       0.38685996       0.81314351 
          0.24665735       0.67959978       0.73971028 
          0.48604117       0.69151602       0.51606756 
          0.23712307       0.61079208       0.75821799 
          0.52183598       0.61506637       0.50653870 
          0.99338590       0.59670729       0.54525354 
          0.24728940       0.60064310       0.21527475 
          0.00486957       0.60466898       0.05026610 
          0.75613805       0.60030442       0.21512201 
          0.49813464       0.60601457       0.05720168 
          0.71751559       0.47723621       0.93967801 
          0.30356480       0.67919549       0.59450116 
          0.00253181       0.18046332       0.52832986 
          0.25629285       0.17749114       0.24047831 
          0.24095725       0.17939472       0.73223014 
          0.51692517       0.19522058       0.54888981 
          0.73652124       0.18166165       0.22104545 
          0.48767270       0.18189850       0.02573888 
          0.80644728       0.17628939       0.76509775 
          0.42936236       0.70852817       0.86276958 
          0.42645366       0.70856545       0.33717800 
          0.00488129       0.70567386       0.78354308 
          0.78206447       0.69488216       0.52885005 
          0.91236449       0.62868561       0.53421186 
          0.14788405       0.60524597       0.15651613 
          0.90401120       0.60739710       0.10916037 
          0.65360637       0.60653998       0.16013548 
          0.39895771       0.60991012       0.11785227 
          0.82211715       0.45327419       0.94503720 
          0.02106069       0.14533548       0.48660010 
          0.32320597       0.17589251       0.16241374 
          0.14754083       0.17794047       0.67066851 
          0.42135050       0.18775012       0.60711391 
          0.76186361       0.14562312       0.25424708 
          0.58744426       0.17737687       0.08113386 
          0.85302457       0.17387597       0.68071479 
          0.50933759       0.75368986       0.57271183 
          0.21869290       0.77550258       0.63759470 
  
  
     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 
  
 
 
  
      11.13   11.18
      12.10   12.15
   
        137.43675454 
      18087.37121686 
     -30969.90301557 
        257.78325635 
      11477.00382189 
     -10812.82478760 
         -0.01728417 
       -399.20968296 
      14158.83048887 
       1936.47076821 
       1936.48805238 
       1936.47652960 
   
  
  
      15.72   15.73
      15.72   15.73
   
       -108.63897633 
       -108.62719746 
       -108.63505004 
   
  
  
      14.36   14.37
      14.37   14.37
   
       -418.61195784 
       -418.62298138 
       -418.61563235 
   
  
  
      14.89   14.90
      14.89   14.90
   
       -431.84484263 
       -431.85518757 
       -431.84829094 
   
  
  
      16.07   16.08
      16.22   16.23
   
       -432.36331751 
       -432.37361392 
       -432.36674965 
   
  
  
      15.52   15.53
      16.15   16.16
   
       -402.28169014 
       -402.20326892 
       -402.25554973 
   
  
  
      14.46   14.46
      15.04   15.05
   
       -410.72052430 
       -410.71079748 
       -410.71728203 
   
  
  
      13.99   14.00
      14.59   14.60
   
       -405.74360058 
       -405.74176769 
       -405.74298962 
   
  
  
      16.00   16.01
      16.58   16.59
   
       -401.07600683 
       -401.05925791 
       -401.07042386 
   
  
  
      15.05   15.06
      15.68   15.69
   
       -399.42814786 
       -399.36367952 
       -399.40665841 
   
  
  
      14.57   14.59
      15.19   15.22
   
       -399.43289607 
       -399.34511979 
       -399.40363731 
   
  
  
      14.42   14.45
      15.03   15.05
   
       -399.42179216 
       -399.44083086 
       -399.42813839 
   
  
  
      15.13   15.16
      15.84   15.86
   
       -399.73027796 
       -399.69609128 
       -399.71888240 
   
  
  
      15.68   15.70
      16.43   16.46
   
       -399.15941731 
       -399.09228980 
       -399.13704147 
   
  
  
      14.39   14.43
      15.03   15.07
   
       -399.22877446 
       -399.15493932 
       -399.20416275 
   
  
  
      14.56   14.58
      15.20   15.22
   
       -399.13519213 
       -399.09735045 
       -399.12257824 
   
  
  
      14.60   14.64
      15.23   15.27
   
       -399.28564912 
       -399.18969775 
       -399.25366533 
   
  
  
      14.38   14.40
      15.03   15.05
   
       -399.14739614 
       -399.07877161 
       -399.12452130 
   
  
  
      14.75   14.77
      15.33   15.35
   
       -399.17493256 
       -399.11336427 
       -399.15440980 
   
  
  
      14.46   14.49
      15.10   15.14
   
       -399.18978669 
       -399.13352840 
       -399.17103393 
   
  
  
      14.46   14.50
      15.08   15.12
   
       -399.19166048 
       -399.13606794 
       -399.17312964 
   
  
  
      14.36   14.39
      14.95   14.98
   
       -399.20015421 
       -399.16448828 
       -399.18826557 
   
  
  
      15.10   15.12
      15.70   15.72
   
       -399.19275962 
       -399.13450570 
       -399.17334165 
   
  
  
      14.16   14.19
      14.87   14.90
   
       -399.19901483 
       -399.15288936 
       -399.18363967 
   
  
  
      13.77   13.80
      14.37   14.40
   
       -399.19781623 
       -399.13732893 
       -399.17765380