vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 13 
  14:25:47 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
      60
       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 
    
   
   
           0.93178149       0.74783486       0.50385497 
           0.86186464       0.00516647       0.57942633 
           0.41409769       0.55297977       0.59766370 
           0.89196967       0.38267034       0.59475340 
           0.00816485       0.23931395       0.43096429 
           0.25816485       0.23931395       0.31597889 
           0.00816485       0.31223131       0.06158143 
           0.25816485       0.31223131       0.18536175 
           0.00816485       0.38873544       0.43519388 
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           0.40999812       0.46502731       0.61391803 
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           0.79916314       0.47984819       0.41351912 
           0.25816485       0.23931395       0.81597889 
           0.00816485       0.31223131       0.56158143 
           0.25816485       0.31223131       0.68536175 
           0.00816485       0.38873544       0.93519388 
           0.25816485       0.38873544       0.81174930 
           0.74171961       0.86210669       0.32980867 
           0.45611339       0.61063788       0.98577797 
           0.32191363       0.98305230       0.34034431 
           0.86206619       0.97749780       0.80358805 
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           0.75816485       0.23931395       0.31597889 
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           0.75816485       0.38873544       0.31174930 
           0.97024856       0.22474730       0.76807375 
           0.44625206       0.09530930       0.27839076 
           0.50918424       0.51277149       0.14041355 
           0.80429477       0.46460379       0.11095137 
           0.50816485       0.23931395       0.93096429 
           0.75816485       0.23931395       0.81597889 
           0.75816485       0.31223131       0.68536175 
           0.50816485       0.38873544       0.93519388 
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           0.93546454       0.43718697       0.56489021 
           0.01857053       0.51031718       0.80049054 
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           0.80239612       0.23270396       0.36520190 
           0.66069423       0.82859704       0.79237077 
           0.79788611       0.83626207       0.77990584 
           0.51926787       0.02102367       0.99405849 
           0.11568335       0.09040812       0.72755765 
           0.47874252       0.34628534       0.59473402 
           0.07551554       0.07598062       0.52741582 
           0.39379545       0.65758813       0.35519865 
           0.22845776       0.99650311       0.89670597 
           0.52459928       0.97609683       0.93251214 
           0.78871948       0.64896552       0.34544557 
           0.73361250       0.46113041       0.67793464 
           0.80672624       0.11330692       0.39788609 
           0.29712746       0.93391624       0.17242688 
           0.67870695       0.00466571       0.04390454 
           0.91263137       0.65568783       0.81344874 
           0.05911790       0.95843605       0.04194721 
           0.01067520       0.11932778       0.50361693 
           0.81900034       0.38646334       0.08449760 
           0.55647809       0.47707834       0.68569990 
           0.69134064       0.17201089       0.01394915 
           0.69196036       0.18547233       0.43682446 
           0.11809554       0.19360649       0.90550703 
           0.45877873       0.51972336       0.80615983 
           0.71482020       0.51988248       0.44044851 
           0.29110940       0.45621382       0.75622279 
           0.91281821       0.84986964       0.30162701 
           0.84480566       0.70449278       0.76015965 
           0.91687253       0.91218900       0.94383283 
           0.55706383       0.96619804       0.72528737 
           0.34380992       0.20424053       0.33180793 
           0.60788288       0.79546001       0.17896324 
   
  
  
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          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
      189
       -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  
   
   
        60
        -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
  
  
        3
        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
       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  
  
 
 
        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 
   
  
  
          0.93178149       0.74783486       0.50385497 
          0.86186464       0.00516647       0.57942633 
          0.41409769       0.55297977       0.59766370 
          0.89196967       0.38267034       0.59475340 
          0.00816485       0.23931395       0.43096429 
          0.25816485       0.23931395       0.31597889 
          0.00816485       0.31223131       0.06158143 
          0.25816485       0.31223131       0.18536175 
          0.00816485       0.38873544       0.43519388 
          0.25816485       0.38873544       0.31174930 
          0.58502814       0.80729488       0.11451536 
          0.40999812       0.46502731       0.61391803 
          0.19484207       0.95609573       0.87123474 
          0.79916314       0.47984819       0.41351912 
          0.25816485       0.23931395       0.81597889 
          0.00816485       0.31223131       0.56158143 
          0.25816485       0.31223131       0.68536175 
          0.00816485       0.38873544       0.93519388 
          0.25816485       0.38873544       0.81174930 
          0.74171961       0.86210669       0.32980867 
          0.45611339       0.61063788       0.98577797 
          0.32191363       0.98305230       0.34034431 
          0.86206619       0.97749780       0.80358805 
          0.50816485       0.23931395       0.43096429 
          0.75816485       0.23931395       0.31597889 
          0.50816485       0.31223131       0.06158143 
          0.75816485       0.31223131       0.18536175 
          0.50816485       0.38873544       0.43519388 
          0.75816485       0.38873544       0.31174930 
          0.97024856       0.22474730       0.76807375 
          0.44625206       0.09530930       0.27839076 
          0.50918424       0.51277149       0.14041355 
          0.80429477       0.46460379       0.11095137 
          0.50816485       0.23931395       0.93096429 
          0.75816485       0.23931395       0.81597889 
          0.75816485       0.31223131       0.68536175 
          0.50816485       0.38873544       0.93519388 
          0.75816485       0.38873544       0.81174930 
          0.34855556       0.47877533       0.54168559 
          0.09577727       0.80423741       0.27182660 
          0.93546454       0.43718697       0.56489021 
          0.01857053       0.51031718       0.80049054 
          0.78443829       0.67979832       0.28538166 
          0.80239612       0.23270396       0.36520190 
          0.66069423       0.82859704       0.79237077 
          0.79788611       0.83626207       0.77990584 
          0.51926787       0.02102367       0.99405849 
          0.11568335       0.09040812       0.72755765 
          0.47874252       0.34628534       0.59473402 
          0.07551554       0.07598062       0.52741582 
          0.39379545       0.65758813       0.35519865 
          0.22845776       0.99650311       0.89670597 
          0.52459928       0.97609683       0.93251214 
          0.78871948       0.64896552       0.34544557 
          0.73361250       0.46113041       0.67793464 
          0.80672624       0.11330692       0.39788609 
          0.29712746       0.93391624       0.17242688 
          0.67870695       0.00466571       0.04390454 
          0.91263137       0.65568783       0.81344874 
          0.05911790       0.95843605       0.04194721 
          0.01067520       0.11932778       0.50361693 
          0.81900034       0.38646334       0.08449760 
          0.55647809       0.47707834       0.68569990 
          0.69134064       0.17201089       0.01394915 
          0.69196036       0.18547233       0.43682446 
          0.11809554       0.19360649       0.90550703 
          0.45877873       0.51972336       0.80615983 
          0.71482020       0.51988248       0.44044851 
          0.29110940       0.45621382       0.75622279 
          0.91281821       0.84986964       0.30162701 
          0.84480566       0.70449278       0.76015965 
          0.91687253       0.91218900       0.94383283 
          0.55706383       0.96619804       0.72528737 
          0.34380992       0.20424053       0.33180793 
          0.60788288       0.79546001       0.17896324 
  
  
     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 
  
 
 
  
      25.36   25.37
      26.74   26.75
   
        123.65170997 
        319.84445598 
     -11500.98119557 
        151.86302353 
      10239.95902789 
      -9563.30171726 
         -0.00760708 
       -409.82063692 
      12674.55391393 
       2035.76097448 
       2035.76858155 
       2035.76351017 
   
  
  
      31.87   31.90
      31.87   31.90
   
        230.00732699 
        229.99552672 
        230.00339356 
   
  
  
      31.38   31.39
      31.38   31.39
   
        -82.87463376 
        -82.85068326 
        -82.86665026 
   
  
  
      32.92   32.93
      32.92   32.93
   
        -99.71202469 
        -99.70662115 
        -99.71022351 
   
  
  
      32.23   32.24
      32.64   32.65
   
       -100.25819845 
       -100.28064160 
       -100.26567950 
   
  
  
      32.40   32.44
      33.92   33.96
   
       -124.86379492 
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       -124.87126764 
   
  
  
      39.67   39.70
      41.49   41.52
   
      -1249.68388324 
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      -1249.67861816 
   
  
  
      29.31   29.38
      30.99   31.06
   
       -630.32523033 
       -630.31329788 
       -630.32125285 
   
  
  
      34.62   34.67
      36.06   36.11
   
        -70.54343159 
        -70.52799915 
        -70.53828745 
   
  
  
      34.05   34.09
      35.40   35.44
   
        -87.62787528 
        -87.66777386 
        -87.64117480