vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2023 04 22 
  14:22:15 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.32000000      0.77000000      0.99000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           11.80528913       0.00000000       0.00000000 
            0.00000000      11.80528913       0.00000000 
            0.00000000       0.00000000      50.00000000 
    
       6968.24257214 
    
            0.08470779       0.00000000       0.00000000 
            0.00000000       0.08470779       0.00000000 
            0.00000000       0.00000000       0.02000000 
    
   
   
           0.81941529       0.05082746       0.28994274 
           0.82088651       0.04785795       0.22928655 
           0.06799184       0.29740149       0.28257166 
           0.05925018       0.29940364       0.22432141 
           0.81194120       0.29798869       0.20910016 
           0.86312876       0.30211667       0.31353127 
           0.06982915       0.04675511       0.20765415 
           0.07101492       0.04905124       0.30831741 
           0.07024248       0.04645943       0.25793599 
           0.81596676       0.29749419       0.26099918 
           0.31943347       0.04916159       0.28905142 
           0.31975312       0.04678724       0.22872405 
           0.55679378       0.29797131       0.28215051 
           0.56005187       0.29724555       0.22293274 
           0.31178410       0.29827988       0.20788282 
           0.34919872       0.29606197       0.31150555 
           0.57082102       0.04571884       0.20821293 
           0.56905047       0.05037139       0.30888341 
           0.57045421       0.04669214       0.25879771 
           0.31547060       0.29570787       0.25958588 
           0.82516851       0.54487093       0.28898732 
           0.81580025       0.54729467       0.22926969 
           0.06915817       0.79673144       0.28827808 
           0.07080859       0.79529773       0.22816750 
           0.81875351       0.79689837       0.20904698 
           0.82178623       0.79769651       0.31000012 
           0.04893612       0.54901886       0.20446931 
           0.07152011       0.54522718       0.30719426 
           0.07170836       0.54731463       0.25617803 
           0.82051483       0.79790732       0.25946484 
           0.31620708       0.54440006       0.29043983 
           0.33621670       0.54701235       0.23276489 
           0.57175859       0.79685657       0.28988067 
           0.57069951       0.79687415       0.22982180 
           0.32105423       0.79594690       0.20834353 
           0.31943005       0.79741353       0.30898372 
           0.56753624       0.54823971       0.20931553 
           0.56843755       0.54267706       0.31147375 
           0.57504887       0.54883859       0.26064962 
           0.31981339       0.79777158       0.25891233 
           0.75239236       0.54465849       0.38017117 
           0.82800468       0.39522163       0.28749990 
           0.81306749       0.19637096       0.23225052 
           0.81083784       0.39767796       0.23256626 
           0.82427686       0.20079398       0.28892730 
           0.07399750       0.14894218       0.28360802 
           0.07023859       0.44595176       0.22903176 
           0.06985411       0.15237770       0.23032418 
           0.07485326       0.44621347       0.28264232 
           0.93146657       0.04764127       0.20148536 
           0.93531333       0.05149845       0.31553372 
           0.20797461       0.04820224       0.31478452 
           0.20781085       0.04601290       0.20105870 
           0.17701004       0.29732361       0.20001273 
           0.24515960       0.29602504       0.33133980 
           0.00471186       0.29879001       0.31233871 
           0.94760747       0.29849783       0.20029356 
           0.91909008       0.05111415       0.25830806 
           0.22182552       0.04835440       0.25783698 
           0.17070745       0.29751461       0.25834487 
           0.96870303       0.29765447       0.25651957 
           0.32179990       0.39522003       0.28630779 
           0.31677501       0.19693998       0.23124897 
           0.31568851       0.40112513       0.23114212 
           0.32287878       0.19789138       0.28619231 
           0.56896097       0.14955447       0.28416670 
           0.56956918       0.44044551       0.23135741 
           0.57007261       0.15342707       0.23063555 
           0.57155394       0.44547312       0.28592367 
           0.43313673       0.04593205       0.20155799 
           0.43170581       0.05090121       0.31563006 
           0.70472169       0.05231499       0.31591088 
           0.70793201       0.04623020       0.20159712 
           0.67636138       0.29727035       0.19997676 
           0.79383881       0.31733834       0.33893823 
           0.48844050       0.29611448       0.31230296 
           0.44913420       0.29872293       0.19935670 
           0.41914892       0.04923679       0.25817122 
           0.72151014       0.05035227       0.25924565 
           0.67017768       0.29751358       0.26123818 
           0.46474194       0.29811557       0.25604451 
           0.82122237       0.90089575       0.28606932 
           0.81675507       0.69631250       0.23275635 
           0.81936823       0.89980166       0.23239597 
           0.82137170       0.69531755       0.28577585 
           0.07193455       0.64799536       0.28390865 
           0.06955394       0.94573102       0.23137477 
           0.07152133       0.64614410       0.22986257 
           0.06969486       0.94598772       0.28471231 
           0.91143055       0.54722110       0.20283032 
           0.93765614       0.54373315       0.31499738 
           0.20626946       0.54497444       0.31509942 
           0.15892124       0.54863615       0.18608367 
           0.18449267       0.79712923       0.20162163 
           0.18224300       0.79717160       0.31523617 
           0.96096162       0.79623738       0.31505743 
           0.95577234       0.79612377       0.20180538 
           0.91950685       0.54533053       0.25807157 
           0.22488660       0.54567075       0.25790155 
           0.16920502       0.79674714       0.25801507 
           0.97148843       0.79642215       0.25832163 
           0.32031936       0.89978989       0.28526812 
           0.32012203       0.69273301       0.23193525 
           0.32169262       0.89795196       0.23187850 
           0.31944502       0.69435186       0.28534172 
           0.57147702       0.64705966       0.28756273 
           0.57124033       0.94658020       0.23235631 
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           0.42762523       0.54825450       0.20346090 
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           0.68267396       0.79834415       0.31593076 
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           0.47122504       0.79593450       0.25900164 
           0.55097472       0.45688918       0.35974249 
           0.32059290       0.24559913       0.83121735 
           0.23347674       0.26764570       0.80998349 
           0.34190850       0.78976281       0.81331973 
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           0.46371815       0.63708288       0.79847180 
           0.38364571       0.76137017       0.76457930 
           0.26620897       0.67001545       0.75983020 
           0.38844807       0.51678238       0.74502467 
           0.50605549       0.60777394       0.74994687 
           0.42482196       0.73480194       0.71666135 
           0.30775848       0.64323374       0.71168548 
           0.43085703       0.49091375       0.69660015 
           0.54805644       0.58205159       0.70177130 
           0.46807505       0.70926292       0.66844976 
           0.35085085       0.61810383       0.66331981 
           0.47431503       0.46481811       0.64857692 
           0.59122359       0.55633782       0.65362701 
           0.51210852       0.68167082       0.61996891 
           0.39414326       0.59125833       0.61519865 
           0.51651963       0.43591100       0.60086140 
           0.63373296       0.52781282       0.60502099 
           0.55082262       0.65109300       0.57124703 
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           0.55752913       0.40475763       0.55308858 
           0.67365307       0.49897100       0.55602209 
           0.57883343       0.62113714       0.52268606 
           0.46806619       0.52134811       0.51899370 
           0.60360562       0.37784381       0.50467792 
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           0.58939591       0.50564052       0.47599318 
           0.66322226       0.45654633       0.45502240 
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           0.68171958       0.45502938       0.40861437 
           0.42802249       0.51962380       0.38020075 
           0.74608465       0.69145377       0.39915687 
           0.87101651       0.90861572       0.37498712 
   
  
  
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         180 
  
 
 
  
          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 
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          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
       644.87300000
         0.00001000
       38
       10
      478
       -1
       -1
       775.00000000
        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
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      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
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         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
        60
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000001
           0.30000000
          4
           0.40000000
    
   
   
          0.40000000
          1.00000000
          0.10000000
          1.60000000
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          4
      F  
        -45
         100.00000000
          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       60
       60
      250
      120
      120
      500
    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      0.77000000      0.99000000
      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
  
  
        2
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000      1.00000000     12.01100000     35.45300000
         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
        23.22747524
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
        -1.00000000
         0.00200000
        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
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    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
       60
        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  
  
 
 
       180 
         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
    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
    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
    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
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    Cl   5
    Cl   5
    Cl   5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      41Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      80O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      38H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
      18C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       3Cl     35.45300000      7.00000000  PAW_PBE Cl 06Sep2000                  
   
  
 
 
  
   
          11.80528913       0.00000000       0.00000000 
           0.00000000      11.80528913       0.00000000 
           0.00000000       0.00000000      50.00000000 
   
      6968.24257214 
   
           0.08470779       0.00000000       0.00000000 
           0.00000000       0.08470779       0.00000000 
           0.00000000       0.00000000       0.02000000 
   
  
  
          0.81941529       0.05082746       0.28994274 
          0.82088651       0.04785795       0.22928655 
          0.06799184       0.29740149       0.28257166 
          0.05925018       0.29940364       0.22432141 
          0.81194120       0.29798869       0.20910016 
          0.86312876       0.30211667       0.31353127 
          0.06982915       0.04675511       0.20765415 
          0.07101492       0.04905124       0.30831741 
          0.07024248       0.04645943       0.25793599 
          0.81596676       0.29749419       0.26099918 
          0.31943347       0.04916159       0.28905142 
          0.31975312       0.04678724       0.22872405 
          0.55679378       0.29797131       0.28215051 
          0.56005187       0.29724555       0.22293274 
          0.31178410       0.29827988       0.20788282 
          0.34919872       0.29606197       0.31150555 
          0.57082102       0.04571884       0.20821293 
          0.56905047       0.05037139       0.30888341 
          0.57045421       0.04669214       0.25879771 
          0.31547060       0.29570787       0.25958588 
          0.82516851       0.54487093       0.28898732 
          0.81580025       0.54729467       0.22926969 
          0.06915817       0.79673144       0.28827808 
          0.07080859       0.79529773       0.22816750 
          0.81875351       0.79689837       0.20904698 
          0.82178623       0.79769651       0.31000012 
          0.04893612       0.54901886       0.20446931 
          0.07152011       0.54522718       0.30719426 
          0.07170836       0.54731463       0.25617803 
          0.82051483       0.79790732       0.25946484 
          0.31620708       0.54440006       0.29043983 
          0.33621670       0.54701235       0.23276489 
          0.57175859       0.79685657       0.28988067 
          0.57069951       0.79687415       0.22982180 
          0.32105423       0.79594690       0.20834353 
          0.31943005       0.79741353       0.30898372 
          0.56753624       0.54823971       0.20931553 
          0.56843755       0.54267706       0.31147375 
          0.57504887       0.54883859       0.26064962 
          0.31981339       0.79777158       0.25891233 
          0.75239236       0.54465849       0.38017117 
          0.82800468       0.39522163       0.28749990 
          0.81306749       0.19637096       0.23225052 
          0.81083784       0.39767796       0.23256626 
          0.82427686       0.20079398       0.28892730 
          0.07399750       0.14894218       0.28360802 
          0.07023859       0.44595176       0.22903176 
          0.06985411       0.15237770       0.23032418 
          0.07485326       0.44621347       0.28264232 
          0.93146657       0.04764127       0.20148536 
          0.93531333       0.05149845       0.31553372 
          0.20797461       0.04820224       0.31478452 
          0.20781085       0.04601290       0.20105870 
          0.17701004       0.29732361       0.20001273 
          0.24515960       0.29602504       0.33133980 
          0.00471186       0.29879001       0.31233871 
          0.94760747       0.29849783       0.20029356 
          0.91909008       0.05111415       0.25830806 
          0.22182552       0.04835440       0.25783698 
          0.17070745       0.29751461       0.25834487 
          0.96870303       0.29765447       0.25651957 
          0.32179990       0.39522003       0.28630779 
          0.31677501       0.19693998       0.23124897 
          0.31568851       0.40112513       0.23114212 
          0.32287878       0.19789138       0.28619231 
          0.56896097       0.14955447       0.28416670 
          0.56956918       0.44044551       0.23135741 
          0.57007261       0.15342707       0.23063555 
          0.57155394       0.44547312       0.28592367 
          0.43313673       0.04593205       0.20155799 
          0.43170581       0.05090121       0.31563006 
          0.70472169       0.05231499       0.31591088 
          0.70793201       0.04623020       0.20159712 
          0.67636138       0.29727035       0.19997676 
          0.79383881       0.31733834       0.33893823 
          0.48844050       0.29611448       0.31230296 
          0.44913420       0.29872293       0.19935670 
          0.41914892       0.04923679       0.25817122 
          0.72151014       0.05035227       0.25924565 
          0.67017768       0.29751358       0.26123818 
          0.46474194       0.29811557       0.25604451 
          0.82122237       0.90089575       0.28606932 
          0.81675507       0.69631250       0.23275635 
          0.81936823       0.89980166       0.23239597 
          0.82137170       0.69531755       0.28577585 
          0.07193455       0.64799536       0.28390865 
          0.06955394       0.94573102       0.23137477 
          0.07152133       0.64614410       0.22986257 
          0.06969486       0.94598772       0.28471231 
          0.91143055       0.54722110       0.20283032 
          0.93765614       0.54373315       0.31499738 
          0.20626946       0.54497444       0.31509942 
          0.15892124       0.54863615       0.18608367 
          0.18449267       0.79712923       0.20162163 
          0.18224300       0.79717160       0.31523617 
          0.96096162       0.79623738       0.31505743 
          0.95577234       0.79612377       0.20180538 
          0.91950685       0.54533053       0.25807157 
          0.22488660       0.54567075       0.25790155 
          0.16920502       0.79674714       0.25801507 
          0.97148843       0.79642215       0.25832163 
          0.32031936       0.89978989       0.28526812 
          0.32012203       0.69273301       0.23193525 
          0.32169262       0.89795196       0.23187850 
          0.31944502       0.69435186       0.28534172 
          0.57147702       0.64705966       0.28756273 
          0.57124033       0.94658020       0.23235631 
          0.57059487       0.64694269       0.23341558 
          0.56891113       0.94603399       0.28570697 
          0.42762523       0.54825450       0.20346090 
          0.42451041       0.54418908       0.31557991 
          0.71340739       0.54215213       0.31564943 
          0.70128501       0.54900066       0.20137356 
          0.68057833       0.79739107       0.20256659 
          0.68267396       0.79834415       0.31593076 
          0.45669481       0.79753188       0.31595405 
          0.45963891       0.79460902       0.20233763 
          0.42343077       0.54459800       0.25973999 
          0.72234021       0.54482107       0.25926319 
          0.66846788       0.79722731       0.25957641 
          0.47122504       0.79593450       0.25900164 
          0.55097472       0.45688918       0.35974249 
          0.32059290       0.24559913       0.83121735 
          0.23347674       0.26764570       0.80998349 
          0.34190850       0.78976281       0.81331973 
          0.34637567       0.54460296       0.79352016 
          0.46371815       0.63708288       0.79847180 
          0.38364571       0.76137017       0.76457930 
          0.26620897       0.67001545       0.75983020 
          0.38844807       0.51678238       0.74502467 
          0.50605549       0.60777394       0.74994687 
          0.42482196       0.73480194       0.71666135 
          0.30775848       0.64323374       0.71168548 
          0.43085703       0.49091375       0.69660015 
          0.54805644       0.58205159       0.70177130 
          0.46807505       0.70926292       0.66844976 
          0.35085085       0.61810383       0.66331981 
          0.47431503       0.46481811       0.64857692 
          0.59122359       0.55633782       0.65362701 
          0.51210852       0.68167082       0.61996891 
          0.39414326       0.59125833       0.61519865 
          0.51651963       0.43591100       0.60086140 
          0.63373296       0.52781282       0.60502099 
          0.55082262       0.65109300       0.57124703 
          0.43359460       0.55909663       0.56723579 
          0.55752913       0.40475763       0.55308858 
          0.67365307       0.49897100       0.55602209 
          0.57883343       0.62113714       0.52268606 
          0.46806619       0.52134811       0.51899370 
          0.60360562       0.37784381       0.50467792 
          0.71247559       0.48027330       0.50710843 
          0.59944868       0.59811989       0.47474298 
          0.50184736       0.48664102       0.47061255 
          0.65548078       0.36386848       0.45574257 
          0.75144315       0.47686416       0.45925065 
          0.62104804       0.58775400       0.42842691 
          0.53795029       0.46748038       0.42337224 
          0.68750453       0.38433461       0.39410097 
          0.78403142       0.43205154       0.42109790 
          0.31197569       0.69777715       0.81331782 
          0.37082492       0.63338872       0.79355612 
          0.35557026       0.67414847       0.76493013 
          0.41654236       0.60459284       0.74467802 
          0.39734240       0.64652842       0.71698746 
          0.45842842       0.57918420       0.69640209 
          0.44049658       0.62094771       0.66869244 
          0.50149924       0.55327199       0.64824879 
          0.48405845       0.59354195       0.62043294 
          0.54361181       0.52439978       0.60004117 
          0.52385209       0.56269522       0.57216694 
          0.58321084       0.49365954       0.55161574 
          0.55777536       0.53102168       0.52394920 
          0.62253720       0.46857178       0.50305947 
          0.58939591       0.50564052       0.47599318 
          0.66322226       0.45654633       0.45502240 
          0.61784194       0.49564493       0.42941405 
          0.68171958       0.45502938       0.40861437 
          0.42802249       0.51962380       0.38020075 
          0.74608465       0.69145377       0.39915687 
          0.87101651       0.90861572       0.37498712 
  
 
 
  
      95.85   95.80
     106.15  106.09
   
        305.90992082 
     737318.99373287 
    -773127.03789584 
       2281.58397621 
      34347.35048480 
     -33780.84744713 
          0.04855527 
      -3075.70618966 
      43158.38024591 
       7428.67538325 
       7428.62682798 
       7428.65919816 
   
  
  
     107.41  107.35
     107.41  107.36
   
        221.46071336 
        221.48140489 
        221.46761054 
   
  
  
      92.90   92.85
      92.90   92.86
   
      -1278.93894310 
      -1278.88405971 
      -1278.92064863 
   
  
  
      93.22   93.17
      93.23   93.18
   
      -1332.54589137 
      -1332.49645021 
      -1332.52941098 
   
  
  
     100.74  100.68
     102.39  102.32
   
      -1334.15851512 
      -1334.10922384 
      -1334.14208470 
   
  
  
      94.09   94.03
     104.93  104.86
   
      -1192.76514286 
      -1192.74326460 
      -1192.75785011 
   
  
  
      93.70   93.64
     103.89  103.82
   
      -1188.42877793 
      -1188.39179000 
      -1188.41644862 
   
  
  
     111.71  111.62
     121.55  121.46
   
      -1200.63945214 
      -1200.65990303 
      -1200.64626910 
   
  
  
      96.93   96.86
     107.28  107.21
   
      -1190.20291813 
      -1190.20957835 
      -1190.20513821 
   
  
  
      98.64   98.58
     108.23  108.16
   
      -1185.80539767 
      -1185.79089677 
      -1185.80056404 
   
  
  
      96.52   96.47
     105.54  105.48
   
      -1185.00662577 
      -1184.97630639 
      -1184.99651931 
   
  
  
     102.39  102.33
     110.98  110.91
   
      -1184.88480005 
      -1184.88729852 
      -1184.88563287 
   
  
  
      94.01   93.95
     103.21  103.14
   
      -1184.63194658 
      -1184.54835637 
      -1184.60408318 
   
  
  
      95.78   95.73
     105.40  105.34
   
      -1184.35898299 
      -1184.40617439 
      -1184.37471345 
   
  
  
      93.57   93.52
     104.64  104.58
   
      -1184.30671380 
      -1184.35481594 
      -1184.32274785 
   
  
  
      95.80   95.75
     107.27  107.20
   
      -1184.94958046 
      -1184.83347407 
      -1184.91087833 
   
  
  
      93.32   93.26
     102.67  102.60
   
      -1184.41036361 
      -1184.25513550 
      -1184.35862091 
   
  
  
      92.94   92.89
     103.23  103.17
   
      -1184.43872139 
      -1184.26224628 
      -1184.37989635 
   
  
  
      95.63   95.58
     106.19  106.13
   
      -1184.48193353 
      -1184.30163162 
      -1184.42183290 
   
  
  
      97.89   97.83
     107.07  107.00
   
      -1184.16521904 
      -1184.05192201 
      -1184.12745336 
   
  
  
      92.79   92.74
     101.72  101.67
   
      -1184.11657545 
      -1184.06051710 
      -1184.09788933 
   
  
  
      94.28   94.23
     102.81  102.76
   
      -1184.10749667 
      -1184.08179283 
      -1184.09892873 
   
  
  
      98.54   98.49
     106.78  106.72
   
      -1184.08081738 
      -1184.11028616 
      -1184.09064031 
   
  
  
      96.48   96.42
     105.79  105.73
   
      -1184.07440003 
      -1184.10220373 
      -1184.08366793 
   
  
  
      95.35   95.31
     103.64  103.59
   
      -1184.06784601 
      -1184.11262034 
      -1184.08277078 
   
  
  
      94.14   94.09
     103.36  103.30
   
      -1184.06980630 
      -1184.10917466 
      -1184.08292909 
   
  
  
     102.36  102.30
     111.34  111.27
   
      -1184.07305961 
      -1184.10463460 
      -1184.08358460 
   
  
  
      97.58   97.53
     106.85  106.79
   
      -1184.07449526 
      -1184.11265485 
      -1184.08721512 
   
  
  
      95.23   95.18
     106.30  106.24
   
      -1184.07370318 
      -1184.11629653 
      -1184.08790096 
   
  
  
     103.45  103.40
     115.11  115.05
   
      -1184.07811893 
      -1184.12061324 
      -1184.09228370 
   
  
  
     102.28  102.23
     112.49  112.43
   
      -1184.07998530 
      -1184.12169907 
      -1184.09388989 
   
  
  
     102.42  102.36
     110.59  110.53
   
      -1184.07519520 
      -1184.12000711 
      -1184.09013250 
   
  
  
     110.51  110.43
     120.71  120.62
   
      -1184.06668819 
      -1184.12389122 
      -1184.08575587 
   
  
  
      84.98   84.91
      98.03   97.94
   
      -1184.06365371 
      -1184.12156817 
      -1184.08295853 
   
  
  
      86.82   86.72
     100.03   99.91
   
      -1184.06723547 
      -1184.12484075 
      -1184.08643723 
   
  
  
      82.68   82.57
      96.09   95.97
   
      -1184.06162583 
      -1184.11825693 
      -1184.08050287 
   
  
  
      95.22   95.10
     108.84  108.70
   
      -1184.08622239 
      -1184.12490047 
      -1184.09911509 
   
  
  
      81.61   81.51
      95.32   95.20
   
      -1184.02989946 
      -1184.07839197 
      -1184.04606363 
   
  
  
      76.21   76.10
      89.79   89.66
   
      -1184.03789239 
      -1184.08838883 
      -1184.05472454 
   
  
  
      88.38   88.25
     100.82  100.66
   
      -1184.05544024 
      -1184.08402994 
      -1184.06497014 
   
  
  
      68.26   68.16
      80.82   80.70
   
      -1184.02658738 
      -1184.05765366 
      -1184.03694280 
   
  
  
      80.56   80.43
      93.27   93.11
   
      -1184.02964402 
      -1184.05795833 
      -1184.03908213 
   
  
  
      70.59   70.48
      83.39   83.26
   
      -1184.04582806 
      -1184.07351863 
      -1184.05505825 
   
  
  
      70.38   70.28
      83.16   83.04
   
      -1184.05500970 
      -1184.09327481 
      -1184.06776474 
   
  
  
      70.42   70.31
      83.37   83.24
   
      -1184.02182406 
      -1184.05557357 
      -1184.03307390 
   
  
  
      69.91   69.82
      82.94   82.82
   
      -1184.03485840 
      -1184.06434672 
      -1184.04468784 
   
  
  
      73.05   72.94
      86.51   86.37
   
      -1184.03206146 
      -1184.06588747 
      -1184.04333680 
   
  
  
      66.64   66.54
      80.25   80.12
   
      -1184.03580225 
      -1184.07194647 
      -1184.04785032 
   
  
  
      68.11   67.99
      81.80   81.65
   
      -1184.03795473 
      -1184.07312474 
      -1184.04967807 
   
  
  
      67.61   67.50
      81.03   80.90
   
      -1184.03715795 
      -1184.07524614 
      -1184.04985401 
   
  
  
      67.41   67.31
      80.38   80.25
   
      -1184.03763420 
      -1184.07770503 
      -1184.05099114 
   
  
  
      66.49   66.38
      79.96   79.82
   
      -1184.03823819 
      -1184.07615401 
      -1184.05087680 
   
  
  
      64.72   64.61
      77.52   77.39
   
      -1184.03807382 
      -1184.07522187 
      -1184.05045650 
   
  
  
      63.40   63.31
      77.11   76.98
   
      -1184.03760922 
      -1184.07458068 
      -1184.04993304 
   
  
  
      66.03   65.93
      79.48   79.36
   
      -1184.03750391 
      -1184.07442725 
      -1184.04981169 
   
  
  
      59.50   59.41
      72.72   72.61
   
      -1184.03731981 
      -1184.07512388 
      -1184.04992117 
   
  
  
      67.64   67.52
      80.71   80.56
   
      -1184.03714082 
      -1184.07587174 
      -1184.05005113 
   
  
  
      63.59   63.48
      76.97   76.84
   
      -1184.03710300 
      -1184.07603616 
      -1184.05008072 
   
  
  
      59.68   59.58
      72.63   72.51
   
      -1184.03700279 
      -1184.07600356 
      -1184.05000305 
   
  
  
      53.23   53.14
      61.71   61.60
   
        305.90992082 
     737318.99373287 
    -775992.53172805 
       2405.85129890 
      87892.88153951 
     -87348.83132559 
          0.03811144 
      -8924.72866664 
      43158.38024591 
      -1184.03687082 
      -1184.07498226 
      -1184.04957463 
   
  
  
   
    
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            0.00000000      11.80528913       0.00000000 
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       6968.24257214 
    
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           0.42802249       0.51962380       0.38020075 
           0.74608465       0.69145377       0.39915687 
           0.87101651       0.90861572       0.37498712 
   
  
  
          0.06288972       0.05288753       0.12359196 
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         -0.03485591       0.06133388       0.08972902 
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          0.02009703       0.00011677      -0.00124743 
         -0.15186058       0.01188662      -0.08621428 
          0.03277588      -0.06878051      -0.07095358 
         -0.04210206       0.00181245       0.00690455 
         -0.13181956      -0.10981390       0.09522395 
          1.62249396      -0.00039231      -0.56195051 
         -0.48483229       0.05259278      -0.07491829 
         -0.00617555       0.03485256       0.06955342 
         -0.01782735      -0.00257058      -0.00219648 
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         -0.10468933       0.02090271       0.04130757 
         -0.07552860      -0.00723292       0.00428006 
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         -0.03591700       0.00391990      -0.01883199 
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         -1.18909500       0.25699849       0.26561606 
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         -0.00422317      -0.03852908       0.02882025 
         -2.07318193       1.31135758       1.51772695 
         -2.77871100       0.70640405      -2.87223195 
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         -0.11449207      -0.59371884      -0.21002262 
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         -0.18573847       0.12542413      -0.01815889 
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         -0.58743183       0.31371379       0.07183574 
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         -2.52419990      -0.34778228       0.55967382 
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         -0.96840973      -1.19494975       1.16979108 
         -0.57435465       1.68537395       0.80146635 
          8.62378166      -2.18904522      -3.69698833 
          2.35095304      -1.14694091      -1.74758497 
          0.37319179       1.87324878       0.13735625 
         -0.16686774      -0.26125592      -0.38920390 
  
  
        -43.03571980      -0.46802153      -2.32030601 
         -0.46802155       4.03837011      -0.93213866 
         -2.32030601      -0.93213866      -6.70128609 
  
  
     -1184.03687082 
     -1184.07498226 
     -1184.04957463 
  
   5853.40 5847.70
  
   
    band
    kpoint
    spin
    eigene
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