vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2023 04 22 
  14:22:14 
 
 
  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 
    
   
   
           0.80866214       0.05346026       0.28701911 
           0.81076109       0.05014932       0.22637937 
           0.05441760       0.29994639       0.27851945 
           0.04981861       0.30215211       0.22046252 
           0.80147570       0.30052902       0.20609556 
           0.85360188       0.30578757       0.31030357 
           0.05972470       0.04891303       0.20461773 
           0.06060226       0.05186034       0.30513515 
           0.06000083       0.04850082       0.25485020 
           0.80497678       0.29983696       0.25788794 
           0.30944770       0.05172678       0.28640685 
           0.30939910       0.04916279       0.22598693 
           0.54706355       0.30096208       0.27945392 
           0.55056599       0.29970979       0.22038704 
           0.30264531       0.30092174       0.20539757 
           0.34171661       0.29827081       0.30960839 
           0.56030427       0.04794843       0.20549871 
           0.55892997       0.05305262       0.30606272 
           0.56012659       0.04896606       0.25605642 
           0.30490383       0.29783044       0.25729378 
           0.81648261       0.54710292       0.28591112 
           0.80409818       0.54989411       0.22644333 
           0.05911890       0.79881393       0.28526809 
           0.06065820       0.79724940       0.22511666 
           0.80806782       0.79910836       0.20621280 
           0.81160238       0.79953724       0.30721985 
           0.03469282       0.55186655       0.20062127 
           0.06099463       0.54710926       0.30385932 
           0.06202171       0.54971196       0.25271808 
           0.81019284       0.80038944       0.25659365 
           0.30572745       0.54618782       0.28823486 
           0.32859889       0.54911205       0.23081580 
           0.56141618       0.79884884       0.28730533 
           0.56050873       0.79902462       0.22720956 
           0.31126334       0.79782844       0.20567809 
           0.30905896       0.79950301       0.30620463 
           0.55615231       0.55051106       0.20687005 
           0.55700565       0.54260285       0.31032150 
           0.56572389       0.55145778       0.25847200 
           0.30949230       0.79997287       0.25620499 
           0.71860799       0.60257933       0.38167095 
           0.81895743       0.39722897       0.28417164 
           0.80283342       0.19867397       0.22924095 
           0.80009255       0.39988704       0.22962929 
           0.81424214       0.20345990       0.28593741 
           0.06315804       0.15121566       0.28041835 
           0.06026457       0.44882255       0.22536125 
           0.05969046       0.15532695       0.22710282 
           0.06423385       0.44865968       0.27916232 
           0.92131129       0.04966298       0.19847112 
           0.92497825       0.05426535       0.31264129 
           0.19698613       0.05084892       0.31195330 
           0.19783619       0.04816061       0.19817813 
           0.16818933       0.29982798       0.19701845 
           0.24775961       0.29797160       0.33193630 
           0.99493791       0.30146612       0.30890446 
           0.93690538       0.30111207       0.19701680 
           0.90902129       0.05349647       0.25523992 
           0.21135198       0.05079741       0.25493649 
           0.16043906       0.29981537       0.25539897 
           0.95784740       0.30005165       0.25308249 
           0.31002178       0.39636766       0.28421680 
           0.30677460       0.19932234       0.22866192 
           0.30559465       0.40379602       0.22858719 
           0.31141762       0.20053530       0.28409825 
           0.55939712       0.15173995       0.28137202 
           0.55896074       0.44262558       0.22881587 
           0.55955763       0.15562231       0.22796082 
           0.56271808       0.44800370       0.28347808 
           0.42275838       0.04821432       0.19883273 
           0.42179143       0.05337359       0.31292149 
           0.69499351       0.05487871       0.31309396 
           0.69728707       0.04839985       0.19878625 
           0.66588027       0.29957501       0.19714654 
           0.78336299       0.32537472       0.33576180 
           0.48073709       0.29789629       0.30951870 
           0.43950677       0.30136726       0.19680039 
           0.40869951       0.05190342       0.25557828 
           0.71143080       0.05273881       0.25643987 
           0.65928243       0.29982932       0.25810251 
           0.45387955       0.30055759       0.25362957 
           0.81133743       0.90349024       0.28326598 
           0.80573334       0.69901312       0.22998419 
           0.80895881       0.90222773       0.22954202 
           0.81145310       0.69797177       0.28288135 
           0.06202156       0.65031826       0.28072265 
           0.05941713       0.94789661       0.22836776 
           0.06201558       0.64784398       0.22632193 
           0.05922023       0.94838990       0.28175968 
           0.89726113       0.54993924       0.20007710 
           0.92799394       0.54570303       0.31180077 
           0.19457775       0.54659282       0.31233046 
           0.13495693       0.55117061       0.17969996 
           0.17490132       0.79928929       0.19877931 
           0.17163689       0.79954319       0.31240943 
           0.95131975       0.79851830       0.31205870 
           0.94506740       0.79816232       0.19889869 
           0.90958163       0.54819220       0.25488693 
           0.21517284       0.54773260       0.25505448 
           0.15886534       0.79900574       0.25509723 
           0.96130839       0.79853566       0.25532049 
           0.30970593       0.90244285       0.28255588 
           0.31002613       0.69465839       0.22929714 
           0.31182712       0.90015188       0.22916361 
           0.30857051       0.69666992       0.28260752 
           0.56217668       0.64909415       0.28540260 
           0.56062716       0.94890219       0.22968632 
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           0.46086078       0.79802580       0.25641735 
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           0.37760710       0.31618198       0.84182697 
           0.28342753       0.33514829       0.82184317 
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           0.40683846       0.48289794       0.80236186 
           0.51694647       0.58383006       0.80674044 
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           0.30876673       0.60767562       0.77090366 
           0.44122561       0.46799661       0.75291556 
           0.55153811       0.56783586       0.75726530 
           0.45220097       0.69406595       0.72623502 
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           0.47530669       0.45497462       0.70362578 
           0.58535607       0.55488636       0.70813058 
           0.48701324       0.68112462       0.67700390 
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           0.51041076       0.44123132       0.65473910 
           0.61998773       0.54175879       0.65897473 
           0.52197402       0.66569060       0.62745769 
           0.41119146       0.56625770       0.62355038 
           0.54361399       0.42415438       0.60600204 
           0.65343076       0.52499807       0.60936855 
           0.55205377       0.64698560       0.57785669 
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           0.57509752       0.40528214       0.55694105 
           0.68431813       0.50726749       0.55963669 
           0.57365101       0.62954909       0.52883879 
           0.47044237       0.52226571       0.52505562 
           0.61352683       0.39325754       0.50703350 
           0.71609600       0.50131389       0.51048597 
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           0.50216337       0.50528342       0.47511889 
           0.66201030       0.39880290       0.45681868 
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           0.70730618       0.75441803       0.39923400 
           0.85081840       0.84905617       0.36976826 
   
  
  
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         180 
  
 
 
  
          2        2        1 
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         0.50000000       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
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         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
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          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  
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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
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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      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      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
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      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 
   
  
  
          0.80866214       0.05346026       0.28701911 
          0.81076109       0.05014932       0.22637937 
          0.05441760       0.29994639       0.27851945 
          0.04981861       0.30215211       0.22046252 
          0.80147570       0.30052902       0.20609556 
          0.85360188       0.30578757       0.31030357 
          0.05972470       0.04891303       0.20461773 
          0.06060226       0.05186034       0.30513515 
          0.06000083       0.04850082       0.25485020 
          0.80497678       0.29983696       0.25788794 
          0.30944770       0.05172678       0.28640685 
          0.30939910       0.04916279       0.22598693 
          0.54706355       0.30096208       0.27945392 
          0.55056599       0.29970979       0.22038704 
          0.30264531       0.30092174       0.20539757 
          0.34171661       0.29827081       0.30960839 
          0.56030427       0.04794843       0.20549871 
          0.55892997       0.05305262       0.30606272 
          0.56012659       0.04896606       0.25605642 
          0.30490383       0.29783044       0.25729378 
          0.81648261       0.54710292       0.28591112 
          0.80409818       0.54989411       0.22644333 
          0.05911890       0.79881393       0.28526809 
          0.06065820       0.79724940       0.22511666 
          0.80806782       0.79910836       0.20621280 
          0.81160238       0.79953724       0.30721985 
          0.03469282       0.55186655       0.20062127 
          0.06099463       0.54710926       0.30385932 
          0.06202171       0.54971196       0.25271808 
          0.81019284       0.80038944       0.25659365 
          0.30572745       0.54618782       0.28823486 
          0.32859889       0.54911205       0.23081580 
          0.56141618       0.79884884       0.28730533 
          0.56050873       0.79902462       0.22720956 
          0.31126334       0.79782844       0.20567809 
          0.30905896       0.79950301       0.30620463 
          0.55615231       0.55051106       0.20687005 
          0.55700565       0.54260285       0.31032150 
          0.56572389       0.55145778       0.25847200 
          0.30949230       0.79997287       0.25620499 
          0.71860799       0.60257933       0.38167095 
          0.81895743       0.39722897       0.28417164 
          0.80283342       0.19867397       0.22924095 
          0.80009255       0.39988704       0.22962929 
          0.81424214       0.20345990       0.28593741 
          0.06315804       0.15121566       0.28041835 
          0.06026457       0.44882255       0.22536125 
          0.05969046       0.15532695       0.22710282 
          0.06423385       0.44865968       0.27916232 
          0.92131129       0.04966298       0.19847112 
          0.92497825       0.05426535       0.31264129 
          0.19698613       0.05084892       0.31195330 
          0.19783619       0.04816061       0.19817813 
          0.16818933       0.29982798       0.19701845 
          0.24775961       0.29797160       0.33193630 
          0.99493791       0.30146612       0.30890446 
          0.93690538       0.30111207       0.19701680 
          0.90902129       0.05349647       0.25523992 
          0.21135198       0.05079741       0.25493649 
          0.16043906       0.29981537       0.25539897 
          0.95784740       0.30005165       0.25308249 
          0.31002178       0.39636766       0.28421680 
          0.30677460       0.19932234       0.22866192 
          0.30559465       0.40379602       0.22858719 
          0.31141762       0.20053530       0.28409825 
          0.55939712       0.15173995       0.28137202 
          0.55896074       0.44262558       0.22881587 
          0.55955763       0.15562231       0.22796082 
          0.56271808       0.44800370       0.28347808 
          0.42275838       0.04821432       0.19883273 
          0.42179143       0.05337359       0.31292149 
          0.69499351       0.05487871       0.31309396 
          0.69728707       0.04839985       0.19878625 
          0.66588027       0.29957501       0.19714654 
          0.78336299       0.32537472       0.33576180 
          0.48073709       0.29789629       0.30951870 
          0.43950677       0.30136726       0.19680039 
          0.40869951       0.05190342       0.25557828 
          0.71143080       0.05273881       0.25643987 
          0.65928243       0.29982932       0.25810251 
          0.45387955       0.30055759       0.25362957 
          0.81133743       0.90349024       0.28326598 
          0.80573334       0.69901312       0.22998419 
          0.80895881       0.90222773       0.22954202 
          0.81145310       0.69797177       0.28288135 
          0.06202156       0.65031826       0.28072265 
          0.05941713       0.94789661       0.22836776 
          0.06201558       0.64784398       0.22632193 
          0.05922023       0.94838990       0.28175968 
          0.89726113       0.54993924       0.20007710 
          0.92799394       0.54570303       0.31180077 
          0.19457775       0.54659282       0.31233046 
          0.13495693       0.55117061       0.17969996 
          0.17490132       0.79928929       0.19877931 
          0.17163689       0.79954319       0.31240943 
          0.95131975       0.79851830       0.31205870 
          0.94506740       0.79816232       0.19889869 
          0.90958163       0.54819220       0.25488693 
          0.21517284       0.54773260       0.25505448 
          0.15886534       0.79900574       0.25509723 
          0.96130839       0.79853566       0.25532049 
          0.30970593       0.90244285       0.28255588 
          0.31002613       0.69465839       0.22929714 
          0.31182712       0.90015188       0.22916361 
          0.30857051       0.69666992       0.28260752 
          0.56217668       0.64909415       0.28540260 
          0.56062716       0.94890219       0.22968632 
          0.55987237       0.64910845       0.23100618 
          0.55882465       0.94839970       0.28302667 
          0.41627811       0.55053502       0.20117872 
          0.41158241       0.54658695       0.31266588 
          0.70829472       0.54521828       0.31243972 
          0.68904717       0.55166523       0.19851709 
          0.66987422       0.79976993       0.19984715 
          0.67272986       0.80107177       0.31315258 
          0.44611875       0.80005964       0.31324482 
          0.44966958       0.79631383       0.19967694 
          0.41425010       0.54642660       0.25754209 
          0.71253719       0.54732996       0.25644082 
          0.65811546       0.79962052       0.25687974 
          0.46086078       0.79802580       0.25641735 
          0.60923372       0.46493385       0.34521583 
          0.37760710       0.31618198       0.84182697 
          0.28342753       0.33514829       0.82184317 
          0.38509458       0.72291305       0.82466452 
          0.40683846       0.48289794       0.80236186 
          0.51694647       0.58383006       0.80674044 
          0.41886489       0.70780661       0.77511837 
          0.30876673       0.60767562       0.77090366 
          0.44122561       0.46799661       0.75291556 
          0.55153811       0.56783586       0.75726530 
          0.45220097       0.69406595       0.72623502 
          0.34230218       0.59384541       0.72184747 
          0.47530669       0.45497462       0.70362578 
          0.58535607       0.55488636       0.70813058 
          0.48701324       0.68112462       0.67700390 
          0.37685773       0.58126195       0.67257104 
          0.51041076       0.44123132       0.65473910 
          0.61998773       0.54175879       0.65897473 
          0.52197402       0.66569060       0.62745769 
          0.41119146       0.56625770       0.62355038 
          0.54361399       0.42415438       0.60600204 
          0.65343076       0.52499807       0.60936855 
          0.55205377       0.64698560       0.57785669 
          0.44212246       0.54621830       0.57459379 
          0.57509752       0.40528214       0.55694105 
          0.68431813       0.50726749       0.55963669 
          0.57365101       0.62954909       0.52883879 
          0.47044237       0.52226571       0.52505562 
          0.61352683       0.39325754       0.50703350 
          0.71609600       0.50131389       0.51048597 
          0.59197921       0.62189210       0.48081181 
          0.50216337       0.50528342       0.47511889 
          0.66201030       0.39880290       0.45681868 
          0.75200893       0.51476107       0.46280974 
          0.61718648       0.63138923       0.43443936 
          0.53995100       0.50980326       0.42657121 
          0.70228950       0.43432804       0.39932677 
          0.79189566       0.51434186       0.42178283 
          0.36346371       0.62918174       0.82406851 
          0.42365346       0.57372281       0.80299927 
          0.39878370       0.61833409       0.77492271 
          0.46128580       0.55813054       0.75310571 
          0.43264031       0.60354722       0.72602305 
          0.49492501       0.54548943       0.70390883 
          0.46732474       0.59056937       0.67678213 
          0.52946472       0.53193806       0.65480617 
          0.50194402       0.57521719       0.62754589 
          0.56261934       0.51491137       0.60560675 
          0.53303839       0.55631034       0.57830839 
          0.59343422       0.49625901       0.55620748 
          0.56026298       0.53769714       0.52914990 
          0.62626384       0.48535901       0.50679804 
          0.58894794       0.52873950       0.48033156 
          0.66461386       0.49148289       0.45818193 
          0.62006596       0.53875414       0.43295880 
          0.69266774       0.51020011       0.41207377 
          0.46304098       0.56520863       0.37664752 
          0.70730618       0.75441803       0.39923400 
          0.85081840       0.84905617       0.36976826 
  
 
 
  
      90.56   90.51
      99.58   99.52
   
        305.90992082 
     731465.23672885 
    -767278.43562960 
       2281.50670984 
      34347.35048480 
     -33780.84744713 
         -0.00956228 
      -3056.33235518 
      43158.38024591 
       7442.75909604 
       7442.76865832 
       7442.76228346 
   
  
  
     105.96  105.90
     105.97  105.90
   
        224.52317574 
        224.55232965 
        224.53289371 
   
  
  
      93.64   93.58
      93.65   93.59
   
      -1279.16485945 
      -1279.13114165 
      -1279.15362019 
   
  
  
      93.67   93.61
      93.67   93.62
   
      -1332.98994933 
      -1332.96654242 
      -1332.98214703 
   
  
  
     100.42  100.37
     102.07  102.01
   
      -1334.64428731 
      -1334.62105472 
      -1334.63654311 
   
  
  
      95.11   95.05
     104.79  104.72
   
      -1194.96186318 
      -1194.94550616 
      -1194.95641084 
   
  
  
      98.12   98.06
     107.60  107.54
   
      -1194.91651461 
      -1194.88910921 
      -1194.90737948 
   
  
  
     104.16  104.08
     112.80  112.72
   
      -1198.20821942 
      -1198.15398415 
      -1198.19014099 
   
  
  
      94.02   93.96
     104.05  103.97
   
      -1189.21900515 
      -1189.20371047 
      -1189.21390692 
   
  
  
      97.04   96.97
     107.02  106.94
   
      -1186.85594070 
      -1186.82394461 
      -1186.84527534 
   
  
  
      94.43   94.38
     102.79  102.73
   
      -1186.48735401 
      -1186.49961659 
      -1186.49144153 
   
  
  
     111.28  111.22
     121.83  121.77
   
      -1186.90407558 
      -1186.90806753 
      -1186.90540623 
   
  
  
      96.52   96.47
     108.22  108.16
   
      -1185.85301994 
      -1185.90146416 
      -1185.86916802 
   
  
  
      98.98   98.93
     110.03  109.97
   
      -1185.70417953 
      -1185.74208156 
      -1185.71681354 
   
  
  
     100.21  100.16
     111.21  111.14
   
      -1185.58113176 
      -1185.61329476 
      -1185.59185276 
   
  
  
     116.20  116.13
     127.35  127.27
   
      -1185.60616671 
      -1185.45405124 
      -1185.55546155 
   
  
  
      96.19   96.13
     105.49  105.43
   
      -1185.64038128 
      -1185.69258577 
      -1185.65778278 
   
  
  
      94.38   94.32
     103.28  103.21
   
      -1185.40743259 
      -1185.34395151 
      -1185.38627223 
   
  
  
      96.55   96.50
     105.51  105.45
   
      -1185.45536677 
      -1185.37125674 
      -1185.42733010 
   
  
  
      93.52   93.46
     102.47  102.40
   
      -1185.38344132 
      -1185.39838516 
      -1185.38842260 
   
  
  
      99.06   99.01
     107.56  107.50
   
      -1185.33135693 
      -1185.36588992 
      -1185.34286793 
   
  
  
     107.37  107.31
     115.78  115.72
   
      -1185.30130910 
      -1185.30929484 
      -1185.30397102 
   
  
  
      94.31   94.25
     103.59  103.52
   
      -1185.28736712 
      -1185.30721057 
      -1185.29398160 
   
  
  
      97.46   97.40
     106.77  106.70
   
      -1185.27149676 
      -1185.28014712 
      -1185.27438021 
   
  
  
      95.88   95.83
     104.65  104.59
   
      -1185.26299189 
      -1185.28343367 
      -1185.26980582 
   
  
  
      96.11   96.04
     105.15  105.08
   
      -1185.26179748 
      -1185.28244816 
      -1185.26868104 
   
  
  
      87.80   87.75
      98.09   98.04
   
      -1185.26051459 
      -1185.28208595 
      -1185.26770504 
   
  
  
     109.77  109.72
     118.36  118.30
   
      -1185.25138238 
      -1185.27381432 
      -1185.25885970 
   
  
  
      91.76   91.71
     100.60  100.55
   
      -1185.25553192 
      -1185.28185926 
      -1185.26430770 
   
  
  
      99.95   99.88
     109.62  109.55
   
      -1185.26387182 
      -1185.29186422 
      -1185.27320262 
   
  
  
      95.51   95.45
     104.05  103.98
   
      -1185.25448321 
      -1185.27828242 
      -1185.26241628 
   
  
  
      87.53   87.47
      98.17   98.10
   
      -1185.26086503 
      -1185.28260600 
      -1185.26811202 
   
  
  
      91.96   91.89
     104.79  104.70
   
      -1185.25793072 
      -1185.28117927 
      -1185.26568024 
   
  
  
      91.44   91.35
     103.88  103.78
   
      -1185.30821004 
      -1185.26649151 
      -1185.29430386 
   
  
  
      84.56   84.45
      97.97   97.84
   
      -1185.44168600 
      -1185.40040502 
      -1185.42792567 
   
  
  
      82.57   82.45
      95.81   95.67
   
      -1185.43724751 
      -1185.39426630 
      -1185.42292044 
   
  
  
      81.90   81.79
      95.65   95.51
   
      -1185.41207969 
      -1185.37027095 
      -1185.39814344 
   
  
  
      91.52   91.41
     105.03  104.89
   
      -1185.28879031 
      -1185.25896395 
      -1185.27884819 
   
  
  
      78.04   77.95
      91.69   91.58
   
      -1185.26703145 
      -1185.24823489 
      -1185.26076593 
   
  
  
      73.26   73.17
      85.49   85.38
   
      -1185.26603956 
      -1185.26970726 
      -1185.26726212 
   
  
  
      67.93   67.84
      80.47   80.36
   
      -1185.27131492 
      -1185.28096902 
      -1185.27453295 
   
  
  
      71.99   71.91
      84.64   84.53
   
      -1185.27355317 
      -1185.28550202 
      -1185.27753612 
   
  
  
      68.66   68.56
      81.24   81.12
   
      -1185.28559014 
      -1185.28518782 
      -1185.28545603 
   
  
  
      69.13   69.03
      81.88   81.76
   
      -1185.27469188 
      -1185.28248881 
      -1185.27729086 
   
  
  
      69.43   69.33
      82.19   82.07
   
      -1185.27954164 
      -1185.28866585 
      -1185.28258304 
   
  
  
      64.94   64.85
      77.89   77.77
   
      -1185.27976127 
      -1185.29367800 
      -1185.28440018 
   
  
  
      72.85   72.74
      86.00   85.87
   
      -1185.27857086 
      -1185.29956713 
      -1185.28556961 
   
  
  
      67.97   67.88
      81.04   80.92
   
      -1185.27960785 
      -1185.30281406 
      -1185.28734325 
   
  
  
      65.59   65.48
      78.89   78.76
   
      -1185.27978792 
      -1185.29946856 
      -1185.28634813 
   
  
  
      65.20   65.10
      78.32   78.19
   
      -1185.28060000 
      -1185.30061515 
      -1185.28727172 
   
  
  
      60.16   60.07
      73.34   73.22
   
      -1185.28056622 
      -1185.30234369 
      -1185.28782538 
   
  
  
      60.58   60.48
      73.58   73.47
   
      -1185.28070776 
      -1185.30394306 
      -1185.28845286 
   
  
  
      55.83   55.74
      69.21   69.10
   
      -1185.28082530 
      -1185.30324042 
      -1185.28829700 
   
  
  
      54.61   54.53
      67.43   67.32
   
      -1185.28090503 
      -1185.30372579 
      -1185.28851195 
   
  
  
      53.39   53.31
      66.40   66.29
   
      -1185.28101981 
      -1185.30349977 
      -1185.28851313 
   
  
  
      53.56   53.48
      66.85   66.74
   
      -1185.28107181 
      -1185.30337041 
      -1185.28850467 
   
  
  
      52.64   52.56
      65.71   65.61
   
      -1185.28112496 
      -1185.30367035 
      -1185.28864009 
   
  
  
      53.06   52.98
      66.35   66.25
   
      -1185.28116028 
      -1185.30357361 
      -1185.28863139 
   
  
  
      52.72   52.63
      65.82   65.72
   
      -1185.28117306 
      -1185.30359299 
      -1185.28864637 
   
  
  
      52.61   52.53
      61.44   61.35
   
        305.90992082 
     731465.23672885 
    -770232.62627071 
       2405.78182449 
      87929.07193646 
     -87384.92906341 
          0.02244129 
      -8832.12894592 
      43158.38024591 
      -1185.28118222 
      -1185.30362351 
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            0.00000000      11.80528913       0.00000000 
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       6968.24257214 
    
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           0.46304098       0.56520863       0.37664752 
           0.70730618       0.75441803       0.39923400 
           0.85081840       0.84905617       0.36976826 
   
  
  
          0.02507053      -0.02608326       0.05972173 
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          1.03663200      -0.51075789       0.48511323 
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         -0.07643914      -0.00518453      -0.00171191 
          0.03362326      -0.00617003      -0.00965766 
         -0.03320383       0.00825873       0.01554743 
         -0.11836778      -0.04099248       0.06048597 
          1.28330555      -0.03013350      -0.65073801 
         -0.29292138       0.02720599      -0.13655677 
          0.02880592       0.04059621       0.04757997 
         -0.00975188       0.00865273      -0.01376596 
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         -0.22086540      -0.00555864      -0.21728774 
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         -0.00965886       0.04485813       0.06682832 
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         -1.21860238      -0.00412681       0.62290818 
         -0.09429254       0.03564733       0.00135632 
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         -0.06371654      -0.04392901      -0.06227205 
         -0.00672643       0.02780491       0.02839885 
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         -0.72847355       0.58028225      -0.41965241 
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         -0.60792789       0.98202098      -0.71122695 
         -2.97106328       0.57392165      -2.65225061 
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         -0.05043481      -0.44523580      -0.19070115 
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         -0.33398886       0.02349682       0.23105157 
         -1.86256104      -0.43110655       0.32658036 
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         -2.18462925       0.04727908      -1.53124774 
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         -0.59411452      -1.15186792       0.79999010 
         -0.92158344       1.39335002       0.98659525 
          7.14639169      -0.60415783      -2.77467157 
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         -0.37288192       1.13954133       0.36789676 
          0.43041730       0.36346312      -0.92652384 
  
  
        -41.23625216      -0.46800279      -2.45757323 
         -0.46800278       3.27151851      -1.29396963 
         -2.45757323      -1.29396961      -8.24188496 
  
  
     -1185.28118222 
     -1185.30362351 
     -1185.28866265 
  
   5749.20 5743.76
  
   
    band
    kpoint
    spin
    eigene
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