vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 06 26 
  23:54:39 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.45000000      0.73000000      1.11000000      0.77000000      0.32000000      0.99000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
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       4740.99950739 
    
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           0.60655810       0.23056623       0.51286072 
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          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
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       -1
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         1
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     T  
     T  
   
   
     T  
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      -100
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     F  
   
   
         0
         2
         1
   
   
         1
     F  
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         -1.00000000
     F  
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     F  
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     F  
   
   
     F  
     F  
   
   
        60
        -5
         2
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      T  
      F  
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          4
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          4
      F  
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          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       70
       70
      126
      140
      140
      252
    F  
  
  
        0
       -1
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        -3.00000000
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         0.00010000
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        2
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        0
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       -10.00000000
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        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  
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    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
        12.26120562
         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
       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  
  
 
 
       232 
         6 
  
   ion
   element
   atomtype
   
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   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
    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
    Si   3
    C    4
    C    4
    C    4
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    Cl   6
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      72Ti     47.88000000     12.00000000  PAW_PBE Ti_sv 26Sep2005               
     145O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       1Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       3C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      10H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1Cl     35.45300000      7.00000000  PAW_PBE Cl 06Sep2000                  
   
  
 
 
  
   
          13.83534000       0.00000000       0.00000000 
           0.00000000      13.83534000       0.00000000 
           0.00000000       0.00000000      24.76796000 
   
      4740.99950739 
   
           0.07227867       0.00000000       0.00000000 
           0.00000000       0.07227867       0.00000000 
           0.00000000       0.00000000       0.04037474 
   
  
  
          0.00540163       0.16591330       0.58909345 
          0.17165360       0.33288778       0.27132103 
          0.00747797       0.16362266       0.45856724 
          0.17165360       0.33288778       0.39010312 
          0.00498693       0.16622111       0.33071208 
          0.17500537       0.33137965       0.50587892 
          0.00498693       0.16622111       0.21192999 
          0.17335955       0.33281351       0.62171642 
          0.00713511       0.49719263       0.58770627 
          0.17165360       0.66622111       0.27132103 
          0.00739412       0.49750291       0.45835903 
          0.17165360       0.66622111       0.39010312 
          0.00498693       0.49955445       0.33071208 
          0.17460242       0.66316640       0.50594634 
          0.00498693       0.49955445       0.21192999 
          0.17182903       0.66607308       0.62183262 
          0.00493218       0.83241090       0.58855273 
          0.17165360       0.99955445       0.27132103 
          0.00716490       0.82999282       0.45873892 
          0.17165360       0.99955445       0.39010312 
          0.00498693       0.83288778       0.33071208 
          0.17324400       0.99768603       0.50564798 
          0.00498693       0.83288778       0.21192999 
          0.17149452       0.99941975       0.62180521 
          0.33853007       0.16573503       0.58828775 
          0.50498693       0.33288778       0.27132103 
          0.34036288       0.16449282       0.45839729 
          0.50498693       0.33288778       0.39010312 
          0.33832026       0.16622111       0.33071208 
          0.50770282       0.33022049       0.50592370 
          0.33832026       0.16622111       0.21192999 
          0.50580584       0.33240038       0.62182827 
          0.34189129       0.50225837       0.58960178 
          0.50498693       0.66622111       0.27132103 
          0.34243964       0.49811380       0.45907729 
          0.50498693       0.66622111       0.39010312 
          0.33832026       0.49955445       0.33071208 
          0.50740830       0.66315524       0.50979963 
          0.33832026       0.49955445       0.21192999 
          0.50497871       0.66756864       0.63137093 
          0.33481111       0.83595918       0.58545163 
          0.50498693       0.99955445       0.27132103 
          0.34132579       0.82976070       0.45799678 
          0.50498693       0.99955445       0.39010312 
          0.33832026       0.83288778       0.33071208 
          0.50695512       0.99773782       0.50586582 
          0.33832026       0.83288778       0.21192999 
          0.50457214       0.99940210       0.62183795 
          0.67236987       0.16553976       0.58842203 
          0.83832026       0.33288778       0.27132103 
          0.67439045       0.16338882       0.45864204 
          0.83832026       0.33288778       0.39010312 
          0.67165360       0.16622111       0.33071208 
          0.84166645       0.32960609       0.50571274 
          0.67165360       0.16622111       0.21192999 
          0.83879394       0.33231334       0.62187009 
          0.67547155       0.49661612       0.58583542 
          0.83832026       0.66622111       0.27132103 
          0.67405446       0.49758003       0.45796082 
          0.83832026       0.66622111       0.39010312 
          0.67165360       0.49955445       0.33071208 
          0.84102107       0.66379970       0.50657503 
          0.67165360       0.49955445       0.21192999 
          0.84042344       0.66391519       0.62336290 
          0.66729079       0.83161312       0.58770803 
          0.83832026       0.99955445       0.27132103 
          0.67317150       0.82843410       0.45862595 
          0.83832026       0.99955445       0.39010312 
          0.67165360       0.83288778       0.33071208 
          0.84017528       0.99593651       0.50591272 
          0.67165360       0.83288778       0.21192999 
          0.83815662       0.99854226       0.62172677 
          0.10564607       0.26508665       0.57305685 
          0.26568693       0.23885445       0.27132103 
          0.07762026       0.09358778       0.27132103 
          0.23905879       0.06634353       0.57246892 
          0.10647653       0.26643548       0.45270700 
          0.26568693       0.23885445       0.39010312 
          0.07762026       0.09358778       0.39010312 
          0.23782684       0.06546662       0.45234451 
          0.09902026       0.26025445       0.33071208 
          0.27369201       0.23138242       0.51328234 
          0.07166997       0.09957918       0.51306468 
          0.24428693       0.07218778       0.33071208 
          0.09902026       0.26025445       0.21192999 
          0.26766046       0.23627500       0.63718744 
          0.07642754       0.09487559       0.63782304 
          0.24428693       0.07218778       0.21192999 
          0.10557096       0.59801037       0.57269638 
          0.26568693       0.57218778       0.27132103 
          0.07762026       0.42692111       0.27132103 
          0.23986293       0.39943117       0.57275573 
          0.10626064       0.59937620       0.45228916 
          0.26568693       0.57218778       0.39010312 
          0.07762026       0.42692111       0.39010312 
          0.23854580       0.39866512       0.45246272 
          0.09902026       0.59358778       0.33071208 
          0.27374342       0.56481356       0.51347520 
          0.07191320       0.43307099       0.51316749 
          0.24428693       0.40552111       0.33071208 
          0.09902026       0.59358778       0.21192999 
          0.26598175       0.57095240       0.63789688 
          0.07740526       0.42679558       0.63728828 
          0.24428693       0.40552111       0.21192999 
          0.10473926       0.93216242       0.57242103 
          0.26568693       0.90552111       0.27132103 
          0.07762026       0.76025445       0.27132103 
          0.23610571       0.73339619       0.57178406 
          0.10572649       0.93332399       0.45235268 
          0.26568693       0.90552111       0.39010312 
          0.07762026       0.76025445       0.39010312 
          0.23814278       0.73157189       0.45240463 
          0.09902026       0.92692111       0.33071208 
          0.27276297       0.89836361       0.51200499 
          0.07107942       0.76570743       0.51283532 
          0.24428693       0.73885445       0.33071208 
          0.09902026       0.92692111       0.21192999 
          0.26477317       0.90613509       0.63753112 
          0.07662568       0.76112080       0.63729924 
          0.24428693       0.73885445       0.21192999 
          0.43840322       0.26468185       0.57290610 
          0.59902026       0.23885445       0.27132103 
          0.41095360       0.09358778       0.27132103 
          0.57251925       0.06631275       0.57289227 
          0.43926560       0.26631835       0.45231275 
          0.59902026       0.23885445       0.39010312 
          0.41095360       0.09358778       0.39010312 
          0.57175953       0.06485597       0.45234120 
          0.43235360       0.26025445       0.33071208 
          0.60655810       0.23056623       0.51286072 
          0.40510171       0.10007214       0.51278071 
          0.57762026       0.07218778       0.33071208 
          0.43235360       0.26025445       0.21192999 
          0.60083195       0.23622444       0.63718611 
          0.40976505       0.09460743       0.63734016 
          0.57762026       0.07218778       0.21192999 
          0.43796485       0.59780502       0.57658929 
          0.59902026       0.57218778       0.27132103 
          0.41095360       0.42692111       0.27132103 
          0.57343189       0.39618626       0.57187141 
          0.44027857       0.60026298       0.45399441 
          0.59902026       0.57218778       0.39010312 
          0.41095360       0.42692111       0.39010312 
          0.57149449       0.39829142       0.45244595 
          0.43235360       0.59358778       0.33071208 
          0.60720322       0.56410810       0.51318585 
          0.40565993       0.43296177       0.51335115 
          0.57762026       0.40552111       0.33071208 
          0.43235360       0.59358778       0.21192999 
          0.60531631       0.56594137       0.63035333 
          0.41047383       0.42580394       0.63788862 
          0.57762026       0.40552111       0.21192999 
          0.43757402       0.93481704       0.57186921 
          0.59902026       0.90552111       0.27132103 
          0.41095360       0.76025445       0.27132103 
          0.57317135       0.73332268       0.57628839 
          0.43967609       0.93307654       0.45247246 
          0.59902026       0.90552111       0.39010312 
          0.41095360       0.76025445       0.39010312 
          0.57089744       0.73100655       0.45408606 
          0.43235360       0.92692111       0.33071208 
          0.60652756       0.89754788       0.51363365 
          0.40449313       0.76656483       0.51295707 
          0.57762026       0.73885445       0.33071208 
          0.43235360       0.92692111       0.21192999 
          0.60021893       0.90535615       0.63723770 
          0.40468849       0.76516021       0.63039548 
          0.57762026       0.73885445       0.21192999 
          0.77201146       0.26464864       0.57248413 
          0.93235360       0.23885445       0.27132103 
          0.74428693       0.09358778       0.27132103 
          0.90607337       0.06600860       0.57308929 
          0.77335808       0.26572899       0.45233440 
          0.93235360       0.23885445       0.39010312 
          0.74428693       0.09358778       0.39010312 
          0.90486304       0.06477595       0.45267560 
          0.76568693       0.26025445       0.33071208 
          0.94031894       0.23091615       0.51322209 
          0.73812256       0.09926359       0.51324663 
          0.91095360       0.07218778       0.33071208 
          0.76568693       0.26025445       0.21192999 
          0.93470295       0.23640187       0.63771290 
          0.74353955       0.09435937       0.63724311 
          0.91095360       0.07218778       0.21192999 
          0.77530614       0.59790274       0.57263603 
          0.93235360       0.57218778       0.27132103 
          0.74428693       0.42692111       0.27132103 
          0.90658010       0.39857893       0.57231083 
          0.77304537       0.60001848       0.45271119 
          0.93235360       0.57218778       0.39010312 
          0.74428693       0.42692111       0.39010312 
          0.90546038       0.39791930       0.45232378 
          0.76568693       0.59358778       0.33071208 
          0.94058376       0.56466753       0.51268634 
          0.73918197       0.43224649       0.51170015 
          0.91095360       0.40552111       0.33071208 
          0.76568693       0.59358778       0.21192999 
          0.93638304       0.56902705       0.63592139 
          0.74621384       0.42489118       0.63776749 
          0.91095360       0.40552111       0.21192999 
          0.77189231       0.93208508       0.57261529 
          0.93235360       0.90552111       0.27132103 
          0.74428693       0.76025445       0.27132103 
          0.90623496       0.73287276       0.57370047 
          0.77251928       0.93267798       0.45248591 
          0.93235360       0.90552111       0.39010312 
          0.74428693       0.76025445       0.39010312 
          0.90466672       0.73185079       0.45254009 
          0.76568693       0.92692111       0.33071208 
          0.93981817       0.89747153       0.51342596 
          0.73810391       0.76585288       0.51326107 
          0.91095360       0.73885445       0.33071208 
          0.76568693       0.92692111       0.21192999 
          0.93466925       0.90433519       0.63722587 
          0.74450047       0.76194833       0.63710366 
          0.91095360       0.73885445       0.21192999 
          0.50806016       0.66758675       0.70525444 
          0.45920628       0.65876795       0.83090608 
          0.39508689       0.54863932       0.80927005 
          0.47339872       0.66393656       0.90165930 
          0.40780400       0.77187344       0.80782140 
          0.38926374       0.54617851       0.76730611 
          0.42975126       0.48249901       0.82147812 
          0.32558358       0.54916902       0.82547766 
          0.50816665       0.59990493       0.91486336 
          0.51320783       0.72778002       0.91395791 
          0.40705212       0.66803521       0.92032634 
          0.33699185       0.77934203       0.82287204 
          0.44882917       0.83530806       0.82107327 
          0.40466412       0.77061760       0.76523957 
          0.58796331       0.65945947       0.71513170 
          0.64877560       0.64046501       0.80782985 
  
  
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      35.66   35.68
      40.59   40.61
   
       3521.28569793 
     624917.43215336 
    -785557.40283757 
       8528.04951289 
     142058.67365290 
    -140893.68637489 
          0.02221093 
      -6196.11272097 
     178098.53667956 
      24476.79797414 
      24476.77576321 
      24476.79057050 
   
  
  
      47.04   47.06
      47.05   47.06
   
       2289.47549599 
       2289.50343208 
       2289.48480802 
   
  
  
      49.42   49.41
      49.43   49.42
   
      -2121.99328240 
      -2121.93495577 
      -2121.97384019 
   
  
  
      58.22   58.21
      58.23   58.22
   
      -2556.73097526 
      -2556.66533948 
      -2556.70909666 
   
  
  
      63.37   63.35
      63.85   63.83
   
      -2615.99514020 
      -2615.92953163 
      -2615.97327067 
   
  
  
      55.60   55.58
      58.08   58.06
   
      -2003.04813228 
      -2003.09159750 
      -2003.06262069 
   
  
  
      55.70   55.68
      58.11   58.10
   
      -1991.76365818 
      -1991.81057734 
      -1991.77929790 
   
  
  
      58.97   58.95
      61.64   61.62
   
      -1963.52100728 
      -1963.56806674 
      -1963.53669377 
   
  
  
      57.58   57.56
      60.29   60.27
   
      -1964.05861483 
      -1964.11309460 
      -1964.07677475 
   
  
  
      57.68   57.65
      60.64   60.62
   
      -1962.44211481 
      -1962.49006325 
      -1962.45809762 
   
  
  
      55.37   55.36
      58.26   58.25
   
      -1962.64538280 
      -1962.67665152 
      -1962.65580570 
   
  
  
      57.52   57.50
      60.85   60.83
   
      -1962.53461698 
      -1962.57474243 
      -1962.54799213 
   
  
  
      57.88   57.85
      61.66   61.64
   
      -1962.52549350 
      -1962.57039305 
      -1962.54046002 
   
  
  
      56.37   56.37
      60.13   60.13
   
      -1962.51986296 
      -1962.56302742 
      -1962.53425111 
   
  
  
      55.48   55.45
      59.33   59.30
   
      -1962.51854411 
      -1962.55987032 
      -1962.53231952 
   
  
  
      53.98   53.96
      56.34   56.32
   
      -1962.51981039 
      -1962.56145511 
      -1962.53369197 
   
  
  
      54.24   54.23
      56.85   56.83
   
      -1962.52221975 
      -1962.56441236 
      -1962.53628395 
   
  
  
      53.31   53.29
      55.58   55.56
   
      -1962.52903366 
      -1962.57161692 
      -1962.54322808 
   
  
  
      52.06   52.05
      54.40   54.40
   
      -1962.53621181 
      -1962.57852981 
      -1962.55031781 
   
  
  
      52.85   52.84
      55.30   55.29
   
      -1962.53884235 
      -1962.58089121 
      -1962.55285864 
   
  
  
      53.65   53.65
      56.09   56.09
   
      -1962.54062989 
      -1962.58265093 
      -1962.55463690 
   
  
  
      47.33   47.31
      49.91   49.89
   
      -1962.54271601 
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      -1962.55674010 
   
  
  
      46.35   46.34
      49.35   49.33
   
      -1962.54512200 
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      -1962.55915349 
   
  
  
      42.68   42.67
      45.78   45.77
   
      -1962.54644273 
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      -1962.56047084 
   
  
  
      40.94   40.93
      44.54   44.53
   
      -1962.54734764 
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      41.72   41.71
      44.28   44.27
   
      -1962.54813913 
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      -1962.56216261 
   
  
  
      39.85   39.84
      43.47   43.47
   
      -1962.54853707 
      -1962.59060345 
      -1962.56255920 
   
  
  
      36.28   36.27
      38.93   38.92
   
      -1962.54869054 
      -1962.59076275 
      -1962.56271461 
   
  
  
      34.81   34.82
      37.79   37.80
   
      -1962.54875705 
      -1962.59083375 
      -1962.56278262 
   
  
  
      35.83   35.83
      40.30   40.30
   
      -1962.54880469 
      -1962.59088250 
      -1962.56283063 
   
  
  
      33.48   33.49
      38.11   38.11
   
      -1962.54882500 
      -1962.59090102 
      -1962.56285034 
   
  
  
      30.01   30.00
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       3521.28569793 
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    -787792.43149929 
       8592.25575262 
     201657.49986717 
    -200282.54649971 
          0.04207293 
     -30674.62305948 
     178098.53667956 
      -1962.54883493 
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           13.83534000       0.00000000       0.00000000 
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            0.00000000       0.00000000      24.76796000 
    
       4740.99950739 
    
            0.07227867       0.00000000       0.00000000 
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           0.40466412       0.77061760       0.76523957 
           0.58796331       0.65945947       0.71513170 
           0.64877560       0.64046501       0.80782985 
   
  
  
         -0.00669280      -0.02837796      -0.01362886 
         -0.00620837       0.02008178      -2.35145505 
         -0.00684808      -0.00536021      -0.00676103 
          0.16671930      -0.14583902      -0.85221439 
         -0.07530575       0.06295798       1.42161165 
          0.00742684      -0.01622479      -0.00129223 
          0.00475336      -0.00990122       3.26213541 
          0.02868219      -0.03339923      -0.04890637 
          0.03293441      -0.05524381      -0.09402778 
         -0.01341237      -0.00185087      -2.35117640 
          0.00555512      -0.01577025      -0.01284962 
          0.20383054      -0.23219963      -0.91711976 
         -0.05378740       0.07085434       1.39577998 
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         -0.00235016      -0.00208426       3.26563012 
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         -0.00418143       0.00819480      -0.01214638 
          0.19547593      -0.20663959      -0.94387381 
         -0.06323177       0.10014178       1.45429643 
          0.00873786       0.00346086      -0.01114953 
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          0.03261428      -0.03273824      -0.00208361 
         -0.00331965       0.01436969      -2.35563341 
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          0.19092086      -0.20967386      -0.90559745 
         -0.06573605       0.04844587       1.40936337 
          0.00112331      -0.00705368       0.00223985 
         -0.01126252      -0.01235024       3.26980538 
          0.02788636      -0.00124202       0.00612977 
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         -0.00156761      -0.00035704      -2.38719538 
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          0.23121732      -0.21468515      -0.29051291 
         -0.12515691       0.04938990       1.48625706 
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         -0.00494013      -0.00544083       3.27948433 
         -0.09493729       0.07792400      -0.39316911 
          0.07130630      -0.00148028      -0.00294993 
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          0.00944717       0.00563551      -0.00532450 
          0.23064795      -0.18475321      -0.90712903 
         -0.12875238       0.12776991       1.34161963 
          0.08262009      -0.07144616       0.03129461 
         -0.00725379       0.01048812       3.27088755 
          0.09154317      -0.07877008       0.00359650 
         -0.01265296      -0.03184045       0.00856968 
         -0.01605469       0.01110705      -2.35888633 
         -0.00820871      -0.01070182       0.00597633 
          0.20897179      -0.22384675      -0.94789366 
         -0.09007756       0.07484801       1.45127227 
         -0.01258953      -0.01161594      -0.02104640 
          0.00275955      -0.00100172       3.26769707 
         -0.02999516      -0.02347878       0.00671818 
         -0.06295769      -0.04411971      -0.00226921 
         -0.01208777       0.00605269      -2.37101594 
         -0.01261863       0.00658570       0.00711542 
          0.20475378      -0.17249669      -0.81308423 
         -0.06954922       0.04917723       1.32500791 
         -0.05612821       0.06597711      -0.05538530 
          0.00527417       0.00334570       3.24654430 
         -0.68296955       0.70146969      -0.41153484 
          0.41523281      -0.35939981       0.43283590 
         -0.01979820       0.00635722      -2.35243618 
         -0.05217834       0.04614831       0.12341682 
          0.19066472      -0.22047063      -0.81862642 
         -0.05900098       0.14234147       1.42972796 
         -0.03560778      -0.01262279       0.02398734 
          0.00608509       0.00332524       3.26190734 
         -0.08776833      -0.04789692      -0.00737290 
          0.00818714       0.01125783       0.01487911 
          2.31050859      -2.32316124      -0.85426891 
         -2.30175922       2.30294348      -0.85329446 
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          0.00431710       0.00184408      -0.00250273 
          1.70361297      -1.71290692       0.07949161 
         -1.82199521       1.82781268       0.26752529 
         -0.01094805      -0.00655413      -0.00108588 
          1.80786757       1.82040090       0.15173828 
         -0.01230355       0.00691150      -0.00035191 
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         -1.80896054      -1.79807297       0.14001994 
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          0.00830454      -0.00253161       0.01309565 
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          2.31010760      -2.31415500      -0.85628678 
         -2.30259330       2.30548032      -0.85075872 
         -0.02055370      -0.01111753       0.02263683 
          0.00652946       0.00171735       0.00872203 
          1.71073625      -1.65916885       0.04530328 
         -1.78742352       1.79275374       0.25796343 
         -0.00673209      -0.00146592       0.00087707 
          1.78864288       1.79641319       0.13512477 
         -0.02064300       0.00752390       0.00563878 
         -0.01857014       0.02005998       0.03094041 
         -1.80559235      -1.79960502       0.14372644 
         -0.34694026      -0.35154460      -0.22671439 
         -0.02295315       0.03179797       0.06771787 
         -0.01861525       0.02789203       0.00735095 
          0.35308094       0.35552289      -0.22981456 
         -0.01600209      -0.02443478       0.00889440 
          2.31924714      -2.31806339      -0.84939743 
         -2.29859590       2.30839866      -0.85670046 
         -0.02316022      -0.01834124       0.01766773 
         -0.00099213      -0.00456413      -0.00442019 
          1.69817693      -1.69694481       0.03613607 
         -1.80750843       1.80991864       0.27658086 
         -0.01332255      -0.00939227       0.01242543 
          1.80260410       1.80938224       0.13644853 
         -0.00906649       0.00119805      -0.00933609 
         -0.00050420      -0.00703010       0.01431095 
         -1.78607174      -1.79596314       0.14258266 
         -0.34779796      -0.35119598      -0.22744725 
         -0.01773343       0.01219076       0.04031090 
         -0.00227415      -0.02178833       0.04884921 
          0.35622991       0.34154288      -0.23457820 
          0.00166326       0.01027660       0.00757033 
          2.31065153      -2.32234532      -0.85753053 
         -2.31407813       2.30344812      -0.85354940 
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          1.68867620      -1.69251419       0.04531038 
         -1.82063336       1.80336654       0.25675922 
         -0.00039227       0.01130520      -0.01393220 
          1.80341594       1.81213900       0.13795756 
          0.00419439       0.00260921      -0.00517217 
         -0.00522254       0.00916101      -0.02059608 
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         -0.34107848      -0.34430720      -0.22756473 
         -0.00873006       0.00883512       0.00285546 
         -0.03884439       0.03870936       0.00735532 
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         -0.10617852      -0.06766396      -0.02755867 
          2.31313801      -2.31264728      -0.83926453 
         -2.31170649       2.30271165      -0.85464834 
          0.00492048       0.00986763       0.00787827 
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          1.68206691      -1.67039397       0.11216851 
         -1.78813714       1.83630564       0.28957435 
         -0.00143357      -0.00068493      -0.00025397 
          1.85471992       1.85298095       0.20026066 
          0.02042083      -0.01301189      -0.01040590 
         -0.00421576      -0.00131693       0.00385359 
         -1.78727240      -1.77324759       0.14635496 
         -0.34016828      -0.34926348      -0.22450640 
          0.13734933      -0.04800779      -0.06061207 
         -0.01731392       0.00307593       0.01976939 
          0.35072664       0.35353016      -0.22485218 
         -0.03184736      -0.00989619      -0.00897045 
          2.31621123      -2.31189674      -0.85012378 
         -2.31125120       2.31042113      -0.84382201 
         -0.07280748      -0.06885301      -0.06206303 
         -0.01773103      -0.00089044      -0.01646489 
          1.67479572      -1.73182125       0.04270000 
         -1.79783670       1.79687833       0.33244340 
         -0.02768079      -0.03270016      -0.00567312 
          1.79656185       1.78447608       0.14433790 
         -0.00669252       0.00841146      -0.03299097 
         -0.01764356       0.00445085      -0.01706088 
         -1.84559651      -1.85066837       0.20475104 
         -0.34288884      -0.35680520      -0.23194912 
         -0.15801871       0.15617644       0.04374380 
         -0.11832393       0.04718231      -0.02553149 
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         -2.30218642       2.30032410      -0.85673932 
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          1.72342888      -1.71921649       0.05432801 
         -1.79793768       1.79454724       0.26224673 
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          1.80492290       1.82222415       0.14595106 
         -0.00141448       0.00670999       0.00597134 
         -0.00050822       0.00987559      -0.00988525 
         -1.81403224      -1.79643611       0.14209670 
         -0.35324490      -0.34531006      -0.22134869 
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          1.70854031      -1.70749908       0.09667212 
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         -1.81501881      -1.79379673       0.14951001 
         -0.35524833      -0.35276087      -0.22066993 
          0.01406228      -0.00524713       0.22130433 
          0.02241673       0.01472103       0.00109266 
          0.34573211       0.35403171      -0.22217386 
          0.07254873       0.09280667      -0.02744394 
          2.32339892      -2.30991013      -0.85824478 
         -2.30381329       2.31174950      -0.84820662 
         -0.02570901      -0.14614846       0.07217227 
          0.02045995       0.01707189      -0.01089032 
          1.67867426      -1.67901611       0.03332264 
         -1.84578544       1.79111860       0.30711912 
          0.00248259      -0.01194052       0.01275705 
          1.78520352       1.79251650       0.13719909 
          0.01600674      -0.02032981       0.00868076 
          0.03814053      -0.03188094      -0.06723327 
         -1.82851961      -1.82432392       0.15365491 
         -0.35381176      -0.35247447      -0.22242682 
          0.06512705      -0.04986747      -0.00971329 
          0.19711202      -0.29593564      -0.26088072 
          0.34441055       0.33965567      -0.22059704 
          3.96298531      -0.27425627       0.90430334 
          1.72339034      -0.53657107      -1.39328742 
          1.83958662       0.19118821       0.33828345 
          1.94342186       0.45832509       0.37627518 
          1.42334119       0.52723194      -0.09095686 
         -0.18149153      -0.01780449      -2.13134581 
          0.45969860      -0.54896867       0.36921980 
         -2.05023667       0.13434587       0.95644083 
          0.79264059      -1.00115749       0.71046794 
          0.45562615       0.23664182       0.16481405 
         -2.61555169       0.08892340       1.18502434 
         -1.65059541       0.01640522       0.72270872 
          0.16152477       0.02226414       0.00313668 
         -0.08390328       0.23246912      -1.60093871 
         -3.90870317       0.24458724      -0.25993468 
         -2.11487647       0.23083990       0.24769347 
  
  
        -29.41774166       1.62569985       0.23276574 
          1.62569904     -27.62454926      -0.50428719 
          0.23276552      -0.50428868     -38.27596211 
  
  
     -1962.54883493 
     -1962.59090786 
     -1962.56285924 
  
   1723.97 1723.67
  
   
    band
    kpoint
    spin
    eigene
    occ
    
     
      
         -57.5755    1.0000 
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