vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 06 21 
  13:38:43 
 
 
  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      0.32000000      0.82000000      0.72000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            9.74432000       0.00000000       0.00000000 
            0.00000000       9.74432000       0.00000000 
            0.00000000       0.00000000      23.42768000 
    
       2224.49973600 
    
            0.10262389       0.00000000       0.00000000 
            0.00000000       0.10262389       0.00000000 
            0.00000000       0.00000000       0.04268455 
    
   
   
           0.12945753       0.12703748       0.38606960 
           0.37512668       0.12093603       0.30720534 
           0.30064950       0.08802338       0.60950840 
           0.10183674       0.39448095       0.14973009 
           0.09483258       0.37893505       0.46262099 
           0.35287600       0.36782295       0.22868328 
           0.34655705       0.34101661       0.53602197 
           0.13026284       0.62816194       0.38202773 
           0.38101952       0.62123193       0.30671585 
           0.33594512       0.58779103       0.61757088 
           0.11492340       0.89299563       0.14663710 
           0.08969469       0.87296716       0.46361773 
           0.36102743       0.86872668       0.22854862 
           0.34776695       0.83947005       0.53960756 
           0.62620282       0.17017289       0.38678353 
           0.87087366       0.09588581       0.30825497 
           0.81482868       0.12262130       0.61715884 
           0.59807332       0.36598326       0.14859215 
           0.60142638       0.42166268       0.46103935 
           0.84830903       0.34453124       0.22954098 
           0.84133268       0.35388278       0.53633229 
           0.63358152       0.67579872       0.38519953 
           0.87727111       0.60160259       0.30512903 
           0.80823340       0.64995117       0.64906739 
           0.60537991       0.86650887       0.14765454 
           0.59144657       0.92185489       0.46327982 
           0.85840662       0.84728286       0.22648937 
           0.84298372       0.85511217       0.54484245 
           0.96316646       0.38793352       0.65220564 
           0.54319093       0.22072295       0.64552236 
           0.07287936       0.01419429       0.10340723 
           0.08279393       0.02771301       0.43854353 
           0.30276555       0.23973425       0.26846957 
           0.28979366       0.18536798       0.55267533 
           0.15570925       0.26765353       0.10765642 
           0.15747899       0.27554714       0.41504457 
           0.41946557       0.48855366       0.26794699 
           0.36228164       0.43419809       0.59455090 
           0.46647732       0.30790037       0.18414690 
           0.44973654       0.37391098       0.48071619 
           0.22401058       0.43448430       0.19446190 
           0.20175971       0.40721923       0.51301642 
           0.26863512       0.06923474       0.35635532 
           0.15274702       0.06508098       0.64032240 
           0.01530867       0.14367570       0.33618738 
           0.89846504       0.22971633       0.65897567 
           0.05208374       0.51931287       0.10977044 
           0.07219515       0.52606882       0.43132803 
           0.30961843       0.74113344       0.26829311 
           0.38353956       0.68929176       0.56607742 
           0.16709742       0.76159484       0.10671496 
           0.14534041       0.77726713       0.41218610 
           0.42304996       0.99122497       0.26836067 
           0.37788492       0.94648946       0.59140994 
           0.47789504       0.80838025       0.18565450 
           0.44113625       0.86921868       0.48369890 
           0.23481624       0.93396001       0.19223256 
           0.18863253       0.85968336       0.51984009 
           0.27837895       0.57634748       0.35848280 
           0.03002530       0.64128527       0.32704672 
           0.91331202       0.53615520       0.67953557 
           0.55926851       0.98679297       0.10457592 
           0.57684583       0.07924019       0.44156246 
           0.81873388       0.19389614       0.25655146 
           0.78500338       0.20321588       0.55694552 
           0.65179548       0.23580590       0.10833904 
           0.66011268       0.32367297       0.41027372 
           0.88038070       0.44387012       0.28362074 
           0.93012812       0.42663599       0.58572158 
           0.97641981       0.32830375       0.18595752 
           0.94775923       0.32547718       0.48718789 
           0.71756877       0.40429342       0.19461162 
           0.70789848       0.43530496       0.51461415 
           0.76010570       0.09648560       0.35989135 
           0.66630632       0.10264481       0.64993755 
           0.50956168       0.18494088       0.33798509 
           0.39357085       0.15703078       0.66121261 
           0.55550092       0.48798602       0.10578321 
           0.58916974       0.57801063       0.43813236 
           0.82745859       0.69467478       0.25149251 
           0.84085866       0.71706655       0.58510142 
           0.65591137       0.73485358       0.10757519 
           0.64974440       0.82970856       0.41099490 
           0.89086908       0.94359786       0.28163717 
           0.88701045       0.97884359       0.59390360 
           0.98640756       0.83360588       0.18293014 
           0.93795522       0.82758531       0.48607167 
           0.72807567       0.90852271       0.19169730 
           0.69468201       0.90576012       0.51930863 
           0.77752141       0.62101070       0.35984100 
           0.66544065       0.56213389       0.64137378 
           0.52148701       0.68043131       0.33428045 
           0.43490672       0.58190342       0.67731170 
           0.57480781       0.35931236       0.68276594 
           0.53222102       0.25176999       0.57577131 
           0.80002753       0.77068847       0.69700772 
           0.11939803       0.37309079       0.67612125 
           0.18896015       0.64681617       0.63889273 
           0.10445763       0.11105094       0.10751571 
           0.20103067       0.29680642       0.07279512 
           0.09724583       0.61109010       0.10981067 
           0.21134462       0.78711657       0.07111377 
           0.59366236       0.08292172       0.10829302 
           0.69040582       0.26305473       0.07183599 
           0.59393267       0.58262402       0.10856503 
           0.69589453       0.76078879       0.07115930 
           0.61307664       0.22101421       0.55398796 
           0.08108039       0.01046660       0.62191766 
           0.74047958       0.84855128       0.69027439 
           0.15261909       0.27882500       0.67919797 
           0.14256630       0.60017620       0.67026847 
           0.43354184       0.62443538       0.71979644 
           0.57024345       0.50242617       0.67786090 
           0.54326901       0.58368541       0.75802899 
   
  
  
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         114 
  
 
 
  
          2        2        1 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.50000000       0.50000000       0.00000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       613.61400000
         0.00001000
       38
       10
      336
       -1
       -1
       552.00000000
        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      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
   
  
  
       48
       48
      120
       96
       96
      240
    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      0.32000000      0.82000000      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      1.00000000     10.81100000     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
        11.70789335
         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  
  
 
 
       114 
         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
    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
    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
    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
    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
    O    2
    O    2
    O    2
    O    2
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    B    4
    F    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      30Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      68O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      14H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1B      10.81100000      3.00000000  PAW_PBE B 06Sep2000                   
       1F      18.99800000      7.00000000  PAW_PBE F 08Apr2002                   
   
  
 
 
  
   
           9.74432000       0.00000000       0.00000000 
           0.00000000       9.74432000       0.00000000 
           0.00000000       0.00000000      23.42768000 
   
      2224.49973600 
   
           0.10262389       0.00000000       0.00000000 
           0.00000000       0.10262389       0.00000000 
           0.00000000       0.00000000       0.04268455 
   
  
  
          0.12945753       0.12703748       0.38606960 
          0.37512668       0.12093603       0.30720534 
          0.30064950       0.08802338       0.60950840 
          0.10183674       0.39448095       0.14973009 
          0.09483258       0.37893505       0.46262099 
          0.35287600       0.36782295       0.22868328 
          0.34655705       0.34101661       0.53602197 
          0.13026284       0.62816194       0.38202773 
          0.38101952       0.62123193       0.30671585 
          0.33594512       0.58779103       0.61757088 
          0.11492340       0.89299563       0.14663710 
          0.08969469       0.87296716       0.46361773 
          0.36102743       0.86872668       0.22854862 
          0.34776695       0.83947005       0.53960756 
          0.62620282       0.17017289       0.38678353 
          0.87087366       0.09588581       0.30825497 
          0.81482868       0.12262130       0.61715884 
          0.59807332       0.36598326       0.14859215 
          0.60142638       0.42166268       0.46103935 
          0.84830903       0.34453124       0.22954098 
          0.84133268       0.35388278       0.53633229 
          0.63358152       0.67579872       0.38519953 
          0.87727111       0.60160259       0.30512903 
          0.80823340       0.64995117       0.64906739 
          0.60537991       0.86650887       0.14765454 
          0.59144657       0.92185489       0.46327982 
          0.85840662       0.84728286       0.22648937 
          0.84298372       0.85511217       0.54484245 
          0.96316646       0.38793352       0.65220564 
          0.54319093       0.22072295       0.64552236 
          0.07287936       0.01419429       0.10340723 
          0.08279393       0.02771301       0.43854353 
          0.30276555       0.23973425       0.26846957 
          0.28979366       0.18536798       0.55267533 
          0.15570925       0.26765353       0.10765642 
          0.15747899       0.27554714       0.41504457 
          0.41946557       0.48855366       0.26794699 
          0.36228164       0.43419809       0.59455090 
          0.46647732       0.30790037       0.18414690 
          0.44973654       0.37391098       0.48071619 
          0.22401058       0.43448430       0.19446190 
          0.20175971       0.40721923       0.51301642 
          0.26863512       0.06923474       0.35635532 
          0.15274702       0.06508098       0.64032240 
          0.01530867       0.14367570       0.33618738 
          0.89846504       0.22971633       0.65897567 
          0.05208374       0.51931287       0.10977044 
          0.07219515       0.52606882       0.43132803 
          0.30961843       0.74113344       0.26829311 
          0.38353956       0.68929176       0.56607742 
          0.16709742       0.76159484       0.10671496 
          0.14534041       0.77726713       0.41218610 
          0.42304996       0.99122497       0.26836067 
          0.37788492       0.94648946       0.59140994 
          0.47789504       0.80838025       0.18565450 
          0.44113625       0.86921868       0.48369890 
          0.23481624       0.93396001       0.19223256 
          0.18863253       0.85968336       0.51984009 
          0.27837895       0.57634748       0.35848280 
          0.03002530       0.64128527       0.32704672 
          0.91331202       0.53615520       0.67953557 
          0.55926851       0.98679297       0.10457592 
          0.57684583       0.07924019       0.44156246 
          0.81873388       0.19389614       0.25655146 
          0.78500338       0.20321588       0.55694552 
          0.65179548       0.23580590       0.10833904 
          0.66011268       0.32367297       0.41027372 
          0.88038070       0.44387012       0.28362074 
          0.93012812       0.42663599       0.58572158 
          0.97641981       0.32830375       0.18595752 
          0.94775923       0.32547718       0.48718789 
          0.71756877       0.40429342       0.19461162 
          0.70789848       0.43530496       0.51461415 
          0.76010570       0.09648560       0.35989135 
          0.66630632       0.10264481       0.64993755 
          0.50956168       0.18494088       0.33798509 
          0.39357085       0.15703078       0.66121261 
          0.55550092       0.48798602       0.10578321 
          0.58916974       0.57801063       0.43813236 
          0.82745859       0.69467478       0.25149251 
          0.84085866       0.71706655       0.58510142 
          0.65591137       0.73485358       0.10757519 
          0.64974440       0.82970856       0.41099490 
          0.89086908       0.94359786       0.28163717 
          0.88701045       0.97884359       0.59390360 
          0.98640756       0.83360588       0.18293014 
          0.93795522       0.82758531       0.48607167 
          0.72807567       0.90852271       0.19169730 
          0.69468201       0.90576012       0.51930863 
          0.77752141       0.62101070       0.35984100 
          0.66544065       0.56213389       0.64137378 
          0.52148701       0.68043131       0.33428045 
          0.43490672       0.58190342       0.67731170 
          0.57480781       0.35931236       0.68276594 
          0.53222102       0.25176999       0.57577131 
          0.80002753       0.77068847       0.69700772 
          0.11939803       0.37309079       0.67612125 
          0.18896015       0.64681617       0.63889273 
          0.10445763       0.11105094       0.10751571 
          0.20103067       0.29680642       0.07279512 
          0.09724583       0.61109010       0.10981067 
          0.21134462       0.78711657       0.07111377 
          0.59366236       0.08292172       0.10829302 
          0.69040582       0.26305473       0.07183599 
          0.59393267       0.58262402       0.10856503 
          0.69589453       0.76078879       0.07115930 
          0.61307664       0.22101421       0.55398796 
          0.08108039       0.01046660       0.62191766 
          0.74047958       0.84855128       0.69027439 
          0.15261909       0.27882500       0.67919797 
          0.14256630       0.60017620       0.67026847 
          0.43354184       0.62443538       0.71979644 
          0.57024345       0.50242617       0.67786090 
          0.54326901       0.58368541       0.75802899 
  
  
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
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     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
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     F  F  F 
     T  T  T 
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     T  T  T 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      25.67   25.68
      26.25   26.25
   
        473.81405041 
      49628.61348988 
     -79450.88144653 
       1709.26677052 
      26821.66247716 
     -26420.54417613 
          0.03748882 
      -1953.35358827 
      33391.18858154 
       4199.80364739 
       4199.76615856 
       4199.79115111 
   
  
  
      29.51   29.52
      29.51   29.52
   
       -408.57593733 
       -408.59255889 
       -408.58147785 
   
  
  
      28.50   28.51
      28.50   28.51
   
       -921.38763570 
       -921.41383015 
       -921.39636718 
   
  
  
      28.71   28.71
      28.71   28.71
   
       -933.75690076 
       -933.78262685 
       -933.76547612 
   
  
  
      28.42   28.43
      28.61   28.61
   
       -934.13785767 
       -934.16357769 
       -934.14643101 
   
  
  
      27.62   27.63
      28.35   28.36
   
       -829.43339925 
       -829.47283589 
       -829.44654480 
   
  
  
      30.92   30.92
      31.59   31.60
   
       -829.02833315 
       -829.10603374 
       -829.05423335 
   
  
  
      28.87   28.88
      29.56   29.57
   
       -828.74880696 
       -828.76676871 
       -828.75479421 
   
  
  
      29.23   29.26
      30.01   30.04
   
       -828.70627540 
       -828.75069948 
       -828.72108343 
   
  
  
      29.04   29.05
      29.73   29.74
   
       -828.71336934 
       -828.79086839 
       -828.73920236 
   
  
  
      30.09   30.10
      30.74   30.76
   
       -828.68149641 
       -828.77904441 
       -828.71401241 
   
  
  
      27.86   27.89
      28.61   28.64
   
       -828.68614977 
       -828.77979382 
       -828.71736445 
   
  
  
      31.97   32.00
      32.72   32.74
   
       -828.68436497 
       -828.78385022 
       -828.71752672 
   
  
  
      30.98   31.01
      31.68   31.70
   
       -828.67427093 
       -828.77523724 
       -828.70792637 
   
  
  
      28.04   28.07
      28.74   28.76
   
       -828.67870598 
       -828.78249623 
       -828.71330273 
   
  
  
      28.18   28.22
      28.87   28.91
   
       -828.68235401 
       -828.78836254 
       -828.71769019 
   
  
  
      29.33   29.36
      30.01   30.03
   
       -828.68460168 
       -828.79307153 
       -828.72075829 
   
  
  
      28.24   28.27
      28.98   29.02
   
       -828.68686437 
       -828.79607713 
       -828.72326862