vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 16 
  20:06:12 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.99000000      0.32000000      0.75000000
       -0.00300000      0.00000000     -0.00100000      0.00100000      0.00000000      0.01700000      0.06100000      0.01500000     -0.00100000      0.00600000      0.00100000      0.00100000      0.00100000      0.00000000     -0.00300000      0.00000000      0.01800000      0.01000000      0.00400000      0.00000000
     -0.00400000     -0.00100000      0.00100000      0.17200000      0.01700000      0.00000000      0.01700000     -0.04100000      0.00600000      0.00000000      0.00000000      0.00100000      0.00000000     -0.00100000     -0.00800000      0.02300000      0.00100000      0.00400000      0.00000000      0.00000000
      0.00000000     -0.00100000      0.00000000      0.00000000      0.00100000      0.00000000      0.00000000      0.00200000      0.00100000      0.00600000     -0.00100000      0.01400000      0.00100000     -0.00200000      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10600000      0.00400000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      25.32620000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       2103.26511137 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.03948480       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.02132288       0.46249225       0.07331282 
           0.01534249       0.54426002       0.43329494 
           0.27470582       0.46408909       0.18853064 
           0.26513948       0.54174901       0.30894257 
           0.00725765       0.23906935       0.43113411 
           0.25725765       0.23906935       0.31614871 
           0.00725765       0.31198671       0.06175125 
           0.25725765       0.31198671       0.18553157 
           0.00725765       0.38849084       0.43536370 
           0.25725765       0.38849084       0.31191912 
           0.01389710       0.46658258       0.55698430 
           0.02047032       0.54172272       0.95853723 
           0.25908459       0.47000945       0.69095005 
           0.24233481       0.55081799       0.81605611 
           0.25725765       0.23906935       0.81614871 
           0.00725765       0.31198671       0.56175125 
           0.25725765       0.31198671       0.68553157 
           0.00725765       0.38849084       0.93536370 
           0.25725765       0.38849084       0.81191912 
           0.51575509       0.46861543       0.05174808 
           0.51693129       0.54382222       0.43237057 
           0.75824675       0.46382467       0.19075491 
           0.76786882       0.54121691       0.30673038 
           0.50725765       0.23906935       0.43113411 
           0.75725765       0.23906935       0.31614871 
           0.50725765       0.31198671       0.06175125 
           0.75725765       0.31198671       0.18553157 
           0.50725765       0.38849084       0.43536370 
           0.75725765       0.38849084       0.31191912 
           0.50797573       0.46653127       0.56058590 
           0.49138759       0.55419912       0.94096951 
           0.76324128       0.46607371       0.67952662 
           0.75881988       0.53189496       0.84194380 
           0.50725765       0.23906935       0.93113411 
           0.75725765       0.23906935       0.81614871 
           0.75725765       0.31198671       0.68553157 
           0.50725765       0.38849084       0.93536370 
           0.75725765       0.38849084       0.81191912 
           0.10344707       0.66775299       0.79121119 
           0.51464640       0.66714078       0.47557926 
           0.18210561       0.61151806       0.74299751 
           0.50886566       0.60596306       0.50194382 
           0.01685655       0.60155474       0.51513220 
           0.27063125       0.60002452       0.22454260 
           0.03476943       0.59442224       0.05505250 
           0.77241571       0.59377415       0.20725903 
           0.51215850       0.60607340       0.03911116 
           0.71347271       0.47730189       0.93373416 
           0.99071002       0.18541341       0.52837014 
           0.24623691       0.18531210       0.21808183 
           0.18737319       0.17903759       0.78825373 
           0.78915487       0.18451686       0.22686322 
           0.51600125       0.18671361       0.02927635 
           0.82228245       0.18231669       0.75157681 
           0.25981238       0.70256605       0.91983657 
           0.69323318       0.69730246       0.35244540 
           0.85257916       0.66600099       0.85520576 
           0.52778910       0.71003065       0.63429490 
           0.08281591       0.72038941       0.64498184 
           0.07131536       0.59776094       0.59342701 
           0.17849715       0.59907017       0.15881706 
           0.92956640       0.59650301       0.11204439 
           0.67305191       0.59752559       0.14798352 
           0.42018499       0.60664834       0.10415011 
           0.81374789       0.45194410       0.94370085 
           0.18250299       0.67546512       0.45901752 
           0.28961721       0.65898364       0.30918266 
           0.00161632       0.15112381       0.48850246 
           0.12735684       0.17712968       0.19110153 
           0.06106263       0.17462015       0.77223089 
           0.70459534       0.18024304       0.15867251 
           0.41463946       0.18309160       0.08563554 
           0.85947511       0.18445215       0.66322705 
           0.29797218       0.71204229       0.37347749 
           0.30758733       0.67981494       0.40857957 
   
  
  
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          48 
          49 
          50 
          51 
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          54 
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          61 
          62 
          63 
          64 
          65 
          66 
          67 
          68 
          69 
          70 
          71 
          72 
          73 
          74 
          75 
  
 
 
  
          3        1        2 
         0.00000000       0.00000000       0.00000000 
         0.33333333       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.33333333       0.00000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.33333333       0.00000000       0.50000000 
  
  
          0.16666667 
          0.33333333 
          0.16666667 
          0.33333333 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       627.11200000
         0.00001000
       38
       10
      187
       -1
       -1
       299.00000000
        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
   
   
         2
     F  
         -0.00300000      0.00000000     -0.00100000      0.00100000      0.00000000      0.01700000      0.06100000      0.01500000     -0.00100000      0.00600000      0.00100000      0.00100000      0.00100000      0.00000000     -0.00300000      0.00000000      0.01800000      0.01000000      0.00400000      0.00000000
     -0.00400000     -0.00100000      0.00100000      0.17200000      0.01700000      0.00000000      0.01700000     -0.04100000      0.00600000      0.00000000      0.00000000      0.00100000      0.00000000     -0.00100000     -0.00800000      0.02300000      0.00100000      0.00400000      0.00000000      0.00000000
      0.00000000     -0.00100000      0.00000000      0.00000000      0.00100000      0.00000000      0.00000000      0.00200000      0.00100000      0.00600000     -0.00100000      0.01400000      0.00100000     -0.00200000      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10600000      0.00400000
         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
       200
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000001
           0.30000000
          4
           0.40000000
    
   
   
          0.40000000
          1.00000000
          0.10000000
          1.60000000
          1.00000000
    
          4
      F  
        -45
         100.00000000
          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       40
      126
       54
       80
      252
      108
    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      0.99000000      0.32000000      0.75000000
      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
  
  
        1
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000     35.45300000      1.00000000     14.00100000
         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
        16.82612089
         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  
  
 
 
        75 
         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
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    Cl   3
    Cl   3
    Cl   3
    Cl   3
    Cl   3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    N    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      40Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      14O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       5Cl     35.45300000      7.00000000  PAW_PBE Cl 06Sep2000                  
      15H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      25.32620000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      2103.26511137 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.03948480       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.02132288       0.46249225       0.07331282 
          0.01534249       0.54426002       0.43329494 
          0.27470582       0.46408909       0.18853064 
          0.26513948       0.54174901       0.30894257 
          0.00725765       0.23906935       0.43113411 
          0.25725765       0.23906935       0.31614871 
          0.00725765       0.31198671       0.06175125 
          0.25725765       0.31198671       0.18553157 
          0.00725765       0.38849084       0.43536370 
          0.25725765       0.38849084       0.31191912 
          0.01389710       0.46658258       0.55698430 
          0.02047032       0.54172272       0.95853723 
          0.25908459       0.47000945       0.69095005 
          0.24233481       0.55081799       0.81605611 
          0.25725765       0.23906935       0.81614871 
          0.00725765       0.31198671       0.56175125 
          0.25725765       0.31198671       0.68553157 
          0.00725765       0.38849084       0.93536370 
          0.25725765       0.38849084       0.81191912 
          0.51575509       0.46861543       0.05174808 
          0.51693129       0.54382222       0.43237057 
          0.75824675       0.46382467       0.19075491 
          0.76786882       0.54121691       0.30673038 
          0.50725765       0.23906935       0.43113411 
          0.75725765       0.23906935       0.31614871 
          0.50725765       0.31198671       0.06175125 
          0.75725765       0.31198671       0.18553157 
          0.50725765       0.38849084       0.43536370 
          0.75725765       0.38849084       0.31191912 
          0.50797573       0.46653127       0.56058590 
          0.49138759       0.55419912       0.94096951 
          0.76324128       0.46607371       0.67952662 
          0.75881988       0.53189496       0.84194380 
          0.50725765       0.23906935       0.93113411 
          0.75725765       0.23906935       0.81614871 
          0.75725765       0.31198671       0.68553157 
          0.50725765       0.38849084       0.93536370 
          0.75725765       0.38849084       0.81191912 
          0.10344707       0.66775299       0.79121119 
          0.51464640       0.66714078       0.47557926 
          0.18210561       0.61151806       0.74299751 
          0.50886566       0.60596306       0.50194382 
          0.01685655       0.60155474       0.51513220 
          0.27063125       0.60002452       0.22454260 
          0.03476943       0.59442224       0.05505250 
          0.77241571       0.59377415       0.20725903 
          0.51215850       0.60607340       0.03911116 
          0.71347271       0.47730189       0.93373416 
          0.99071002       0.18541341       0.52837014 
          0.24623691       0.18531210       0.21808183 
          0.18737319       0.17903759       0.78825373 
          0.78915487       0.18451686       0.22686322 
          0.51600125       0.18671361       0.02927635 
          0.82228245       0.18231669       0.75157681 
          0.25981238       0.70256605       0.91983657 
          0.69323318       0.69730246       0.35244540 
          0.85257916       0.66600099       0.85520576 
          0.52778910       0.71003065       0.63429490 
          0.08281591       0.72038941       0.64498184 
          0.07131536       0.59776094       0.59342701 
          0.17849715       0.59907017       0.15881706 
          0.92956640       0.59650301       0.11204439 
          0.67305191       0.59752559       0.14798352 
          0.42018499       0.60664834       0.10415011 
          0.81374789       0.45194410       0.94370085 
          0.18250299       0.67546512       0.45901752 
          0.28961721       0.65898364       0.30918266 
          0.00161632       0.15112381       0.48850246 
          0.12735684       0.17712968       0.19110153 
          0.06106263       0.17462015       0.77223089 
          0.70459534       0.18024304       0.15867251 
          0.41463946       0.18309160       0.08563554 
          0.85947511       0.18445215       0.66322705 
          0.29797218       0.71204229       0.37347749 
          0.30758733       0.67981494       0.40857957 
  
  
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      41.84   42.01
      42.75   42.92
   
        123.65170997 
      23426.80456446 
     -34901.02167365 
        173.87545565 
      10239.95902789 
      -9563.30171726 
         -0.02591292 
       -340.74859443 
      12674.55391393 
       1833.74677365 
       1833.77268656 
       1833.75541129 
   
  
  
      50.63   50.62
      50.63   50.62
   
       -112.15284013 
       -112.15632976 
       -112.15400334 
   
  
  
      46.05   46.04
      46.05   46.04
   
       -408.15501524 
       -408.15628954 
       -408.15544001 
   
  
  
      48.58   48.58
      48.59   48.58
   
       -421.60153002 
       -421.60430152 
       -421.60245385 
   
  
  
      48.87   48.86
      49.20   49.19
   
       -422.08371310 
       -422.08658830 
       -422.08467150 
   
  
  
      49.24   49.23
      50.54   50.53
   
       -396.15340428 
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      45.07   45.06
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      49.92   49.91
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       -395.22780827 
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      47.15   47.14
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       -395.07538833 
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      46.92   46.92
      48.20   48.19
   
       -395.07054481 
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       -395.07722849 
   
  
  
      46.19   46.18
      47.47   47.47
   
       -395.06440613 
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      47.61   47.60
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       -395.05793204 
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      47.15   47.15
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       -395.05314627 
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      47.48   47.48
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       -395.05249307 
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      46.36   46.35
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       -395.05276768 
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      51.86   51.85
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       -395.05333093 
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      46.39   46.39
      47.70   47.69
   
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      48.07   48.06
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      48.12   48.11
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      47.29   47.28
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       -395.05612553 
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      45.19   45.18
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       -395.05681269 
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      44.28   44.28
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       -395.05743732 
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      44.92   44.92
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       -395.05779564 
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      40.66   40.65
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       -395.05798963 
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      37.62   37.62
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       -395.05825573 
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      39.79   39.78
      41.10   41.09
   
       -395.05845007 
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      31.11   31.11
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       -395.05850467 
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      30.15   30.15
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       -395.05853816 
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      27.88   27.88
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        123.65170997 
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