vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 01 15 
  20:50:53 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
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  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
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         268 
         269 
         270 
         271 
         272 
         273 
         274 
         275 
         276 
         277 
         278 
         279 
         280 
         281 
         282 
         283 
         284 
         285 
         286 
         287 
         288 
         289 
         290 
         291 
         292 
         293 
         294 
         295 
         296 
         297 
         298 
         299 
         300 
         301 
         302 
         303 
         304 
         305 
         306 
         307 
         308 
         309 
         310 
         311 
         312 
         313 
         314 
         315 
         316 
         317 
         318 
         319 
         320 
         321 
  
 
 
  
          1        1        1 
         0.00000000       0.00000000       0.00000000 
         1.00000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
      753
       -1
       -1
      1184.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -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      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      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
           0.00000000
           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
   
  
  
       80
      140
       80
      160
      280
      160
    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
      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     12.01100000
         0.00000000      0.00000000      0.00000000      0.00000000
         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
        13.50293501
         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  
  
 
 
       321 
         4 
  
   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
    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
    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
    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
    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
    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
    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
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
     193Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      52O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      68H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       8C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
   
  
 
 
  
   
          15.46772000       0.00000000       0.00000000 
           0.00000000      28.46772000       0.00000000 
           0.00000000       0.00000000      16.40601000 
   
      7224.07022841 
   
           0.06465077       0.00000000       0.00000000 
           0.00000000       0.03512751       0.00000000 
           0.00000000       0.00000000       0.06095327 
   
  
  
          0.99179012       0.36862881       0.27036070 
          0.99179012       0.43654662       0.18702736 
          0.11679012       0.36862881       0.35369403 
          0.11679012       0.43654662       0.10369403 
          0.99306755       0.64120431       0.26767419 
          0.99360842       0.16298143       0.18756075 
          0.11819094       0.64274818       0.35047412 
          0.11860624       0.16298485       0.10300896 
          0.99186703       0.23251943       0.26940375 
          0.99132847       0.57199960       0.18682194 
          0.11688990       0.23259654       0.35433368 
          0.11638198       0.57227277       0.10232398 
          0.99179012       0.50446442       0.27036070 
          0.99179012       0.30071101       0.18702736 
          0.11679012       0.50446442       0.35369403 
          0.11679012       0.30071101       0.10369403 
          0.99179012       0.36862881       0.60369403 
          0.99179012       0.43654662       0.52036070 
          0.11679012       0.36862881       0.68702736 
          0.11679012       0.43654662       0.43702736 
          0.99562824       0.64192118       0.60305116 
          0.99387731       0.16305803       0.52079717 
          0.11941444       0.64104092       0.68877894 
          0.11885492       0.16309865       0.43624769 
          0.99182680       0.23251427       0.60278924 
          0.49166056       0.57464116       0.52202313 
          0.11681092       0.23253959       0.68778003 
          0.11731199       0.57370807       0.43531230 
          0.99179012       0.50446442       0.60369403 
          0.99179012       0.30071101       0.52036070 
          0.11679012       0.50446442       0.68702736 
          0.11679012       0.30071101       0.43702736 
          0.99179012       0.36862881       0.93702736 
          0.99179012       0.43654662       0.85369403 
          0.11679012       0.36862881       0.02036070 
          0.11679012       0.43654662       0.77036070 
          0.99358515       0.64174628       0.93627046 
          0.99382668       0.16307627       0.85418342 
          0.11820305       0.64186325       0.02099557 
          0.11885290       0.16304965       0.76964282 
          0.99185407       0.23252424       0.93622938 
          0.49297702       0.57228207       0.85567216 
          0.11683267       0.23253583       0.02119253 
          0.11699820       0.57204225       0.77047625 
          0.99179012       0.50446442       0.93702736 
          0.99179012       0.30071101       0.85369403 
          0.11679012       0.50446442       0.02036070 
          0.11679012       0.30071101       0.77036070 
          0.24179012       0.36862881       0.27036070 
          0.24179012       0.43654662       0.18702736 
          0.36679012       0.36862881       0.35369403 
          0.36679012       0.43654662       0.10369403 
          0.24289693       0.64080691       0.26622554 
          0.24360624       0.16298616       0.18755808 
          0.36601113       0.64224123       0.35211136 
          0.36860083       0.16299001       0.10300532 
          0.24188054       0.23251895       0.26940897 
          0.24161830       0.57171368       0.18594566 
          0.36689229       0.23259584       0.35433710 
          0.36719092       0.57234589       0.10256512 
          0.24179012       0.50446442       0.27036070 
          0.24179012       0.30071101       0.18702736 
          0.36679012       0.50446442       0.35369403 
          0.36679012       0.30071101       0.10369403 
          0.24179012       0.36862881       0.60369403 
          0.24179012       0.43654662       0.52036070 
          0.36679012       0.36862881       0.68702736 
          0.36679012       0.43654662       0.43702736 
          0.24594545       0.64135228       0.60681470 
          0.24387827       0.16309314       0.52081178 
          0.36906782       0.63989027       0.69281724 
          0.36883867       0.16311299       0.43623995 
          0.24183484       0.23253144       0.60284542 
          0.24216596       0.57325233       0.52097064 
          0.36685638       0.23252968       0.68778677 
          0.36719973       0.57324435       0.43582439 
          0.24179012       0.50446442       0.60369403 
          0.24179012       0.30071101       0.52036070 
          0.36679012       0.50446442       0.68702736 
          0.36679012       0.30071101       0.43702736 
          0.24179012       0.36862881       0.93702736 
          0.24179012       0.43654662       0.85369403 
          0.36679012       0.36862881       0.02036070 
          0.36679012       0.43654662       0.77036070 
          0.24349478       0.64174668       0.93735991 
          0.24382676       0.16309557       0.85419557 
          0.36902950       0.64193836       0.02112881 
          0.36885055       0.16303682       0.76964012 
          0.24185332       0.23253180       0.93627842 
          0.24177657       0.57232760       0.85539297 
          0.36685548       0.23253769       0.02119181 
          0.36772678       0.57108966       0.77260142 
          0.24179012       0.50446442       0.93702736 
          0.24179012       0.30071101       0.85369403 
          0.36679012       0.50446442       0.02036070 
          0.36679012       0.30071101       0.77036070 
          0.49179012       0.36862881       0.27036070 
          0.49179012       0.43654662       0.18702736 
          0.61679012       0.36862881       0.35369403 
          0.61679012       0.43654662       0.10369403 
          0.49262743       0.64229907       0.26967156 
          0.49360923       0.16299813       0.18752705 
          0.61942903       0.64126570       0.35155959 
          0.61861296       0.16299011       0.10300180 
          0.49186703       0.23251943       0.26940375 
          0.49189122       0.57263192       0.18796213 
          0.61688990       0.23259654       0.35433368 
          0.61680886       0.57241530       0.10287986 
          0.49179012       0.50446442       0.27036070 
          0.49179012       0.30071101       0.18702736 
          0.61679012       0.50446442       0.35369403 
          0.61679012       0.30071101       0.10369403 
          0.49179012       0.36862881       0.60369403 
          0.49179012       0.43654662       0.52036070 
          0.61679012       0.36862881       0.68702736 
          0.61679012       0.43654662       0.43702736 
          0.49281237       0.64390343       0.60826839 
          0.49387820       0.16308644       0.52075635 
          0.61997757       0.64148860       0.68938561 
          0.61887920       0.16312277       0.43625636 
          0.49182680       0.23251427       0.60278924 
          0.99255443       0.57261571       0.52077758 
          0.61681092       0.23253959       0.68778003 
          0.61641592       0.57293489       0.43644818 
          0.49179012       0.50446442       0.60369403 
          0.49179012       0.30071101       0.52036070 
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          0.30729269       0.84389518       0.47143953 
  
  
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      34.57   34.57
      39.75   39.75
   
        517.66239122 
      39110.23069897 
     -81025.98884438 
        -80.14777521 
      36041.75636066 
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      44394.94002811 
       5845.10330722 
       5845.10751542 
       5845.10470996 
   
  
  
      39.34   39.34
      39.35   39.35
   
       -908.52533027 
       -908.55379003 
       -908.53481686 
   
  
  
      38.61   38.60
      38.62   38.61
   
      -1822.83885877 
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      -1822.84738370 
   
  
  
      38.51   38.52
      38.52   38.52
   
      -1864.26620174 
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      -1864.27488733 
   
  
  
      43.18   43.18
      43.91   43.91
   
      -1865.94894555 
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      -1865.95764435 
   
  
  
      39.63   39.62
      43.39   43.38
   
      -1760.50396103 
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      34.77   34.77
      38.71   38.70
   
      -1758.40918733 
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      39.85   39.84
      43.84   43.83
   
      -1756.01966810 
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      37.68   37.68
      41.73   41.73
   
      -1755.51715067 
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      36.13   36.13
      39.84   39.84
   
      -1755.54805324 
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      44.41   44.41
      48.57   48.57
   
      -1755.56139844 
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      34.41   34.40
      38.06   38.05
   
      -1755.56410228 
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      40.11   40.10
      43.19   43.18
   
      -1755.56232339 
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      37.29   37.28
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      -1755.56351253 
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      42.08   42.07
      45.21   45.20
   
      -1755.56462542 
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      35.39   35.38
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      -1755.56450112 
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      37.61   37.60
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      -1755.56429103 
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      43.31   43.30
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      46.23   46.23
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      41.28   41.27
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      -1755.57296374 
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      39.56   39.54
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      -1755.57341409 
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      38.41   38.40
      41.63   41.62
   
      -1755.57544512 
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      -1755.58384589 
   
  
  
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          0.00007294      -0.01492127       0.01167979 
          0.00546393       0.01003886      -0.00305112 
         -0.00119572      -0.00949747      -0.00612606 
         -0.00929727       0.02355813       0.01376991 
         -0.00795269       0.02559374       0.00232882 
         -0.00636570       0.00600174       0.00320287 
         -0.01431701       0.12502989       0.04296502 
          0.00035625      -0.00125654      -0.00430899 
          0.00320675       0.01286029      -0.00021321 
         -0.00593674       0.01094312       0.00882004 
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         -0.00220150       0.00062324       0.01460348 
          0.00798628       0.01794898      -0.00520970 
          0.00038975       0.00793654      -0.02608000 
          0.00344871      -0.06140884      -0.02103717 
         -0.00863932       0.01352069       0.01572782 
         -0.00022493      -0.00774425       0.00774991 
          0.00454450       0.01991102      -0.01273232 
          0.00146992      -0.01142325      -0.01571453 
          0.00588572       0.00203899       0.00157361 
          0.00622031       0.02629259      -0.02616466 
          0.00041654       0.00399885       0.00679726 
         -0.01138946      -0.00775267      -0.01407790 
         -0.00259127       0.01513594       0.00047631 
          0.00162225       0.01158556      -0.00747831 
          0.00156463       0.00123000      -0.01915287 
          0.00052042      -0.00123846      -0.00174964 
          0.01830791      -0.00770399      -0.00307134 
         -0.00456443      -0.08297696       0.05631099 
          0.00551770       0.00770223      -0.01538953 
         -0.01684175      -0.10371928      -0.10350994 
          0.00400181       0.00582009       0.01474315 
          0.00340797      -0.01437702      -0.00378834 
         -0.00251182       0.00436493       0.00410646 
         -0.00114900      -0.01618197      -0.00276844 
          0.00384023       0.01453415       0.01680351 
         -0.00117705      -0.02557038      -0.00104326 
          0.00603232      -0.01441198      -0.00160419 
          0.00007674       0.00350812       0.04344198 
         -0.00029779       0.01000999       0.00274309 
          0.00207024      -0.00149974      -0.00679659 
         -0.01596545      -0.00096012       0.00819517 
          0.00044171      -0.00070193       0.02110312 
         -0.00055241       0.01146923       0.01148928 
         -0.00641940      -0.07127235      -0.00463485 
         -0.00889406       0.01239854      -0.02430476 
          0.00933792       0.07864149       0.03512678 
          0.00273783       0.01561137       0.02756012 
         -0.00017855      -0.01194011       0.02513341 
          0.00925152       0.02044976      -0.02756755 
         -0.00179651      -0.01066501       0.00054471 
         -0.00535480       0.01483211      -0.00181453 
         -0.03224757      -0.32664251       0.36341814 
         -0.00869428       0.00971866      -0.00043077 
          0.06923898      -0.14390739       0.03568322 
          0.00047610       0.00286832      -0.00256127 
          0.00181938       0.01380749      -0.00138901 
          0.00028037       0.03952504      -0.03323280 
         -0.00057129       0.00295022       0.00375695 
          0.02583106      -0.00436082       0.01592223 
         -0.00135228       0.14116445       0.00249122 
          0.00163931       0.01085614      -0.03179844 
          0.01930466      -0.08766804       0.00034717 
         -0.00767811       0.01237123       0.01275910 
         -0.00071837      -0.00587128       0.00911322 
          0.01289788       0.01200146      -0.00997258 
          0.00325333      -0.01263149      -0.01745152 
          0.00370678      -0.00809433      -0.01463716 
         -0.00203476       0.01686002      -0.05300268 
         -0.00108232       0.00301785       0.00565160 
         -0.00570580      -0.01634029      -0.02006061 
         -0.00331903       0.02082046       0.00438414 
          0.00230601       0.01286955      -0.01077601 
          0.01919540      -0.03238105       0.01450842 
          0.00206378      -0.00069875      -0.00212832 
         -0.07646390       0.01775095       0.00856178 
         -0.03938745      -0.07331332       0.11904902 
          0.00610144       0.00595067      -0.01506782 
          0.03534986      -0.07581095      -0.08378973 
          0.00504532       0.00235735       0.01133354 
          0.00284809      -0.01082847       0.00886498 
         -0.00360656       0.01412240      -0.02087863 
          0.00036866      -0.01447395      -0.00888252 
          0.01810083       0.01983518       0.02000438 
         -0.02155171      -0.01006357       0.01474232 
          0.00578216      -0.01351324      -0.00214229 
         -0.12591455      -0.25547424      -0.13814852 
          0.00044815       0.01149441       0.00408484 
          0.00499792      -0.00014043      -0.00303851 
          0.01164918       0.00398594       0.00268351 
          0.00074135       0.00060826       0.01891505 
          0.00158588       0.00367289       0.00640512 
         -0.00243264      -0.03605447       0.02897280 
         -0.00945476       0.01500535      -0.03062807 
         -0.01900916       0.06167032       0.00954972 
          0.00321043       0.01505192       0.02734968 
          0.00071522      -0.01236363       0.03237230 
          0.00032374       0.03740410      -0.04364480 
          0.00134594      -0.00807207      -0.00592085 
          0.00131577       0.01293630       0.01000015 
         -0.18002515       0.83859006      -0.26412288 
         -0.00806946       0.01563677      -0.00228182 
         -0.05911408      -0.13654041      -0.03864024 
          0.00039577       0.00078311      -0.00139080 
          0.00244657       0.01769290       0.00540004 
         -0.00564594       0.00077016       0.00042098 
          0.00486140       0.00145411       0.00225020 
         -0.01926085      -0.00236267       0.02125058 
          0.00838475       0.28730103      -0.04181285 
          0.00112898       0.01190316      -0.03628919 
         -0.00477369      -0.07000698      -0.02656858 
         -0.00774142       0.01268964       0.01629350 
         -0.00120526      -0.00596390       0.01052644 
          0.01354819       0.01873795      -0.01793780 
          0.00195056      -0.01241861      -0.01758248 
          0.00895077      -0.00040556      -0.00135941 
          0.00332629      -0.02627746      -0.00034354 
          0.00014792       0.00870666       0.00220661 
         -0.00037128      -0.01966698      -0.02071053 
         -0.00252660       0.02315714       0.00660076 
          0.00149500       0.01326879      -0.00593620 
          0.00153370      -0.00095700      -0.01232401 
          0.00018798      -0.00080291      -0.00392885 
          0.05332805       0.01540106       0.01678232 
          0.04663680      -0.11554992       0.13250357 
          0.00640734       0.00833264      -0.01753540 
         -0.02251938      -0.07636429      -0.05381892 
          0.00184669       0.00559407       0.01452550 
          0.00595215      -0.01125720       0.00383948 
         -0.01160593      -0.00490158      -0.00349380 
          0.00127321      -0.01827316      -0.00100609 
          0.01146585       0.02219863       0.02059648 
          0.01277431       0.02151417       0.01987473 
          0.00713647      -0.01551498      -0.00095041 
          0.01251863       0.01842663       0.02548949 
          0.00060229       0.00904968       0.00206894 
          0.00315756      -0.00063236      -0.00534179 
         -0.02098825      -0.00862155       0.00808545 
          0.00135159      -0.00326200       0.02309645 
          0.00142173       0.01356464       0.01284500 
          0.01544022      -0.06681406       0.02466138 
         -0.00996269       0.01354747      -0.02733935 
          0.00209945      -0.01495424      -0.01839207 
          0.00388204       0.01604541       0.02723416 
         -0.00260905      -0.01683178       0.01224771 
          0.00656666       0.00810906      -0.00419036 
         -0.00344926      -0.00740779      -0.01399041 
         -0.00745047       0.00852501      -0.00136887 
         -0.00981730      -0.02875292       0.05564694 
         -0.00567271       0.01093784      -0.00049680 
          0.01390344       0.01566712      -0.01095352 
          0.00128271      -0.00172246      -0.00609934 
          0.00104239       0.01088239      -0.00354172 
          0.01116270       0.00634969      -0.00969390 
         -0.00017704       0.00378664       0.00132836 
          0.00269019      -0.00579045      -0.00758439 
         -0.01387814      -0.02544379       0.02125780 
          0.00289803       0.00900550      -0.02633307 
          0.00742493      -0.02172814      -0.04451201 
         -0.00888879       0.01304717       0.01278256 
          0.00088754      -0.00635744       0.00802893 
         -0.00153011       0.01332946      -0.00896765 
          0.00032960      -0.01286018      -0.01632191 
          0.00729487       0.00500188       0.01270848 
          0.01180534      -0.01898786      -0.00292351 
         -0.00037703       0.00705425       0.00301766 
         -0.00899996      -0.00044211      -0.01606762 
         -0.00177863       0.01858884       0.00286926 
          0.00241748       0.01295869      -0.01034053 
         -0.01118097      -0.02938885      -0.00300303 
          0.00226268      -0.00101668      -0.00136346 
         -0.00463167      -0.00471918       0.01733112 
          0.04043005      -0.04290572       0.05674931 
          0.00598571       0.00558542      -0.01474820 
         -0.00810115      -0.13362798      -0.12901413 
          0.00453383       0.00542668       0.01789044 
         10.37048796      -8.09946970      -3.15727197 
         -0.00135579      -0.00493228       0.00611148 
          0.00401760      -0.00053516       0.00344654 
          0.00097862       0.00140119      -0.00414845 
          0.00317836      -0.00517877      -0.00383221 
          0.00164211      -0.00075226      -0.00256991 
          0.00021969       0.00379974       0.00387011 
          0.00015647      -0.00788016       0.00789928 
          0.00550126      -0.00410952       0.00204813 
          0.00493137      -0.00181606      -0.00312059 
          0.00273847      -0.01404883      -0.00495485 
          0.00415609       0.00006587      -0.00223485 
          0.00113719      -0.00274760       0.00077631 
         -0.00189503       0.00496564       0.00745421 
          0.04008692       0.03180837       0.01641863 
         -0.00544359      -0.02911454      -0.01524603 
          0.00999695      -0.10752712      -0.03007792 
         -0.02059734      -0.03508645       0.03306250 
          0.00013946       0.00880624       0.02096423 
          0.00466125       0.03015572       0.00445717 
         -0.10648135       0.15837479      -0.10548879 
          0.10828033       1.05419412      -0.08441798 
          0.01739103       0.03160256      -0.01725184 
          0.01911132      -0.05928307       0.05333212 
          0.00708764       0.02417090       0.02710261 
         -0.00146766      -0.01043632       0.00908563 
          0.00322266      -0.00606848       0.00069163 
          0.00258573      -0.01091586      -0.00089505 
          0.00045551      -0.01235442      -0.00489433 
          0.00371502      -0.00658239      -0.00107699 
         -0.00201783      -0.00889871       0.00053403 
         -0.00297048      -0.00745909       0.00685464 
          0.00227333      -0.00299378       0.00182104 
         -0.00026306      -0.00578434      -0.00174100 
          0.00051137      -0.00632797      -0.00345310 
          0.00149568      -0.00608765      -0.00141944 
         -0.00316809      -0.00064387       0.00316366 
          0.00426378       0.03321770       0.00932530 
          1.33591767      -0.50652966      -0.30756814 
         -0.88890024       2.62420364       0.21247129 
          0.00228042       0.13623092       0.01577008 
          0.01469514       0.03522156       0.00057500 
         -0.00315069       0.02848527       0.02160680 
         -0.01208005       0.00592084       0.01193319 
         -0.00953176      -0.01398762      -0.02458072 
         -0.03671784       0.05209143      -0.07098641 
         -0.01849202      -0.01253455       0.00364748 
         -0.01414774       0.01217675      -0.00110323 
         -0.00710225       0.01451365       0.01561318 
         -5.33307095       1.14790567      -2.64324204 
         -0.49498673      -5.81873794       1.25327401 
        -10.60719280      -4.79752306       0.84758083 
          0.72256056      -1.41133098      -0.59597725 
         -0.00039631       0.00453551       0.00025264 
         -0.00076330       0.00004475      -0.00005261 
         -0.00180636       0.00336349       0.00297380 
         -0.00100592       0.00186792       0.00057595 
         -0.00144661       0.00137798       0.00089350 
          0.00011519      -0.00180365       0.00151419 
         -0.00137477       0.00301595       0.00085906 
         -0.00238779       0.00109112      -0.00104237 
         -0.00261216      -0.00117936       0.00305244 
         -0.00161992       0.00393172      -0.00045644 
         -0.00094017      -0.00047624       0.00004934 
         -0.00176790       0.00035061       0.00128825 
         -0.00695149      -0.00577445      -0.01685318 
         -0.03538218       0.01632765       0.02028273 
          0.01998830       0.02738891      -0.02870892 
         -0.02292473      -0.00449906      -0.01281619 
          0.00560411      -0.00163504      -0.00489445 
         -0.00833660      -0.00172401      -0.01064470 
          0.05387323      -0.18003015      -0.07421266 
         -0.03264757       0.04484811      -0.00013062 
         -0.01172299       0.04106025      -0.02742037 
          0.00105445      -0.00594109      -0.00833458 
         -1.03880706      -0.25321177       0.48623565 
         -0.22381280       0.21137541      -0.42826958 
          0.00002284       0.00192824       0.00064004 
         -0.00091572       0.00277835       0.00029165 
          0.00066421      -0.00074076       0.00094853 
          0.00009346       0.00452454       0.00047166 
          0.00030434       0.00035859      -0.00007647 
          0.00015309       0.00286476       0.00096378 
          0.00100341       0.00358329      -0.00018311 
          0.00031149       0.00165731       0.00106150 
          0.00076394       0.00252217       0.00088770 
          0.00064101       0.00239654       0.00122217 
          0.00015857       0.00203257       0.00039097 
          0.00146669       0.00056777       0.00142225 
          0.00170800       0.00230432      -0.00156240 
         -1.57214978       0.74527357       0.44055147 
          0.00756485       0.00233842       0.01500277 
         -0.01003394      -0.03567307       0.01197256 
          0.01160376       0.00948342       0.00092667 
          0.00557399      -0.00712471      -0.01149028 
          0.00021592      -0.00241841      -0.01160870 
          0.00991293       0.00359714       0.00289453 
         -3.29068986       1.70975372       1.49546920 
          0.01048836      -0.00481829      -0.00964813 
          0.00633690      -0.00582306       0.00379486 
          0.01260566      -0.00046053      -0.01011515 
          8.95419019       2.50495610      -1.71966714 
         -4.49119446       6.27540949      -2.61983194 
          1.25535063       5.11500220       1.77079167 
          5.03466818      -6.00355042       3.45007698 
         -9.88075861      -2.19482485       2.42101744 
          3.30926227       0.78761160       2.94808196 
          4.01931867      -3.85349041      -3.74654342 
          5.87647078       2.87301583      -0.29451957 
         -3.45420758       4.22511243       3.69607248 
         -2.23802869      -0.25825285      -3.24008740 
          0.12757138      -0.10503740       0.68987023 
         -0.29219971       0.13815020       0.77539734 
          0.79710303       0.37862630      -0.02054539 
          1.70130986      -0.22131587      -0.63813851 
         -0.84549814      -1.31674741      -0.10544312 
          0.02614685       0.13857871      -0.19126760 
          0.98470539       1.19047463       0.32780669 
         -1.35187640      -0.16045622       0.97592841 
         -0.38298836      -0.27499853       0.10206565 
          0.08121761      -0.02775644       0.10546931 
         -1.95172368      -0.53938413       7.04627293 
          2.75870174       2.53903900      -6.94605517 
          3.98273834       1.00722341       1.26906217 
         -1.43628625       0.36753772      -0.96489499 
          0.18645514      -0.74132979      -0.74500398 
         -0.03495467      -0.08804736      -0.09158670 
         -0.92426307       0.17560546      -0.83297069 
         -0.60543227       1.24981185      -0.77096980 
  
  
         11.65115977       0.99310395       0.74598735 
          0.99310371      -0.93738151       0.10505712 
          0.74598783       0.10505704     -13.08243145 
  
  
     -1755.58608878 
     -1755.61282151 
     -1755.59499969 
  
   1380.75 1380.39
  
   
    band
    kpoint
    spin
    eigene
    occ
    
     
      
         -23.9686    1.0000 
         -22.2158    1.0000 
         -21.6057    1.0000 
         -19.6765    1.0000 
         -19.4561    1.0000 
         -19.4289    1.0000 
         -19.4220    1.0000 
         -19.4024    1.0000 
         -19.3819    1.0000 
         -19.3109    1.0000 
         -19.3108    1.0000 
         -19.2904    1.0000 
         -19.2902    1.0000 
         -19.2838    1.0000 
         -19.2836    1.0000 
         -19.2506    1.0000 
         -19.2463    1.0000 
         -19.2326    1.0000 
         -19.2290    1.0000 
         -19.1042    1.0000 
         -19.0110    1.0000 
         -18.9698    1.0000 
         -18.9695    1.0000 
         -18.9680    1.0000 
         -18.9666    1.0000 
         -18.9608    1.0000 
         -18.9592    1.0000 
         -18.9070    1.0000 
         -18.9029    1.0000 
         -18.8982    1.0000 
         -18.8779    1.0000 
         -18.8109    1.0000 
         -18.6693    1.0000 
         -18.6686    1.0000 
         -18.6646    1.0000 
         -18.6641    1.0000 
         -18.6398    1.0000 
         -18.6393    1.0000 
         -18.5994    1.0000 
         -18.5790    1.0000 
         -18.5747    1.0000 
         -18.5613    1.0000 
         -18.5552    1.0000 
         -18.5506    1.0000 
         -18.5505    1.0000 
         -18.5119    1.0000 
         -18.4560    1.0000 
         -18.4429    1.0000 
         -18.4196    1.0000 
         -18.3334    1.0000 
         -16.9647    1.0000 
         -16.3804    1.0000 
         -14.6866    1.0000 
         -14.1221    1.0000 
         -13.7546    1.0000 
         -11.5094    1.0000 
         -11.3678    1.0000 
         -10.9744    1.0000 
         -10.8785    1.0000 
         -10.1528    1.0000 
          -9.8242    1.0000 
          -9.8122    1.0000 
          -9.6847    1.0000 
          -9.6817    1.0000 
          -9.6262    1.0000 
          -9.6240    1.0000 
          -9.3785    1.0000 
          -9.3693    1.0000 
          -9.3462    1.0000 
          -9.2999    1.0000 
          -9.2956    1.0000 
          -9.1884    1.0000 
          -9.1864    1.0000 
          -9.1836    1.0000 
          -9.1800    1.0000 
          -9.0093    1.0000 
          -8.9434    1.0000 
          -8.9077    1.0000 
          -8.8994    1.0000 
          -8.8932    1.0000 
          -8.8904    1.0000 
          -8.8725    1.0000 
          -8.8580    1.0000 
          -8.8326    1.0000 
          -8.7820    1.0000 
          -8.6490    1.0000 
          -8.5431    1.0000 
          -8.5384    1.0000 
          -8.5316    1.0000 
          -8.5266    1.0000 
          -8.5104    1.0000 
          -8.4976    1.0000 
          -8.4164    1.0000 
          -8.3675    1.0000 
          -8.3161    1.0000 
          -8.3138    1.0000 
          -8.2913    1.0000 
          -8.2341    1.0000 
          -8.1945    1.0000 
          -8.1849    1.0000 
          -8.1798    1.0000 
          -8.1783    1.0000 
          -8.1744    1.0000 
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