vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 13 
  23:06:03 
 
 
  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 
    
   
   
           0.12621793       0.44504922       0.34399399 
           0.36589998       0.65243176       0.55024687 
           0.41880217       0.47462802       0.56014770 
           0.26477653       0.73223583       0.64122761 
           0.00544324       0.23858014       0.43147376 
           0.25544324       0.23858014       0.31648836 
           0.00544324       0.31149750       0.06209090 
           0.25544324       0.31149750       0.18587122 
           0.00544324       0.38800163       0.43570335 
           0.25544324       0.38800163       0.31225877 
           0.90230868       0.49031357       0.43986753 
           0.77681287       0.51813966       0.07778307 
           0.01445739       0.45236180       0.68091450 
           0.93191902       0.47495994       0.76728317 
           0.25544324       0.23858014       0.81648836 
           0.00544324       0.31149750       0.56209090 
           0.25544324       0.31149750       0.68587122 
           0.00544324       0.38800163       0.93570335 
           0.25544324       0.38800163       0.81225877 
           0.44545015       0.47332725       0.95478030 
           0.82700442       0.02388864       0.30771793 
           0.60482901       0.38746138       0.20044982 
           0.62125584       0.43797939       0.30941340 
           0.50544324       0.23858014       0.43147376 
           0.75544324       0.23858014       0.31648836 
           0.50544324       0.31149750       0.06209090 
           0.75544324       0.31149750       0.18587122 
           0.50544324       0.38800163       0.43570335 
           0.75544324       0.38800163       0.31225877 
           0.37316119       0.44275668       0.72047220 
           0.22288626       0.51589892       0.92792631 
           0.67870849       0.45883050       0.65022377 
           0.44794413       0.47196503       0.81421109 
           0.50544324       0.23858014       0.93147376 
           0.75544324       0.23858014       0.81648836 
           0.75544324       0.31149750       0.68587122 
           0.50544324       0.38800163       0.93570335 
           0.75544324       0.38800163       0.81225877 
           0.24945718       0.55806170       0.58460702 
           0.01632500       0.90990388       0.38854615 
           0.44840785       0.53745206       0.44694087 
           0.77627416       0.19881806       0.60958652 
           0.92810837       0.60521924       0.58016213 
           0.43822526       0.51685170       0.67914363 
           0.61264180       0.58450363       0.03651652 
           0.62510735       0.37975870       0.73812271 
           0.27587221       0.55766086       0.11628887 
           0.51536345       0.43913674       0.01478832 
           0.87094413       0.12960692       0.55575123 
           0.48516831       0.13025700       0.25819956 
           0.03781676       0.10952079       0.08667752 
           0.13239894       0.10388079       0.28504960 
           0.61315628       0.18358911       0.15547618 
           0.71917177       0.11818984       0.86272218 
           0.25139321       0.60068314       0.86554243 
           0.60870607       0.00138033       0.21933042 
           0.93123127       0.55372063       0.51213726 
           0.32002762       0.27134286       0.18345207 
           0.19549992       0.65832955       0.37546952 
           0.65100818       0.66264397       0.69504046 
           0.10855542       0.41035585       0.99965123 
           0.48092902       0.48067892       0.04282562 
           0.39166462       0.51676400       0.07026089 
           0.21377707       0.45534483       0.04491178 
           0.68894907       0.40555385       0.17638395 
           0.00373149       0.44546697       0.14419515 
           0.42985538       0.50734574       0.95890230 
           0.79883437       0.09653052       0.52457692 
           0.41707518       0.00223055       0.49592515 
           0.94426346       0.12750826       0.88622569 
           0.10342488       0.14695888       0.16322275 
           0.35380101       0.09331211       0.04799234 
           0.77036097       0.13655721       0.79341951 
           0.25413628       0.24779561       0.73836002 
           0.78243563       0.32378027       0.58087824 
   
  
  
           1 
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          31 
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          36 
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          38 
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          44 
          45 
          46 
          47 
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          49 
          50 
          51 
          52 
          53 
          54 
          55 
          56 
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          58 
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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
      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 
   
  
  
          0.12621793       0.44504922       0.34399399 
          0.36589998       0.65243176       0.55024687 
          0.41880217       0.47462802       0.56014770 
          0.26477653       0.73223583       0.64122761 
          0.00544324       0.23858014       0.43147376 
          0.25544324       0.23858014       0.31648836 
          0.00544324       0.31149750       0.06209090 
          0.25544324       0.31149750       0.18587122 
          0.00544324       0.38800163       0.43570335 
          0.25544324       0.38800163       0.31225877 
          0.90230868       0.49031357       0.43986753 
          0.77681287       0.51813966       0.07778307 
          0.01445739       0.45236180       0.68091450 
          0.93191902       0.47495994       0.76728317 
          0.25544324       0.23858014       0.81648836 
          0.00544324       0.31149750       0.56209090 
          0.25544324       0.31149750       0.68587122 
          0.00544324       0.38800163       0.93570335 
          0.25544324       0.38800163       0.81225877 
          0.44545015       0.47332725       0.95478030 
          0.82700442       0.02388864       0.30771793 
          0.60482901       0.38746138       0.20044982 
          0.62125584       0.43797939       0.30941340 
          0.50544324       0.23858014       0.43147376 
          0.75544324       0.23858014       0.31648836 
          0.50544324       0.31149750       0.06209090 
          0.75544324       0.31149750       0.18587122 
          0.50544324       0.38800163       0.43570335 
          0.75544324       0.38800163       0.31225877 
          0.37316119       0.44275668       0.72047220 
          0.22288626       0.51589892       0.92792631 
          0.67870849       0.45883050       0.65022377 
          0.44794413       0.47196503       0.81421109 
          0.50544324       0.23858014       0.93147376 
          0.75544324       0.23858014       0.81648836 
          0.75544324       0.31149750       0.68587122 
          0.50544324       0.38800163       0.93570335 
          0.75544324       0.38800163       0.81225877 
          0.24945718       0.55806170       0.58460702 
          0.01632500       0.90990388       0.38854615 
          0.44840785       0.53745206       0.44694087 
          0.77627416       0.19881806       0.60958652 
          0.92810837       0.60521924       0.58016213 
          0.43822526       0.51685170       0.67914363 
          0.61264180       0.58450363       0.03651652 
          0.62510735       0.37975870       0.73812271 
          0.27587221       0.55766086       0.11628887 
          0.51536345       0.43913674       0.01478832 
          0.87094413       0.12960692       0.55575123 
          0.48516831       0.13025700       0.25819956 
          0.03781676       0.10952079       0.08667752 
          0.13239894       0.10388079       0.28504960 
          0.61315628       0.18358911       0.15547618 
          0.71917177       0.11818984       0.86272218 
          0.25139321       0.60068314       0.86554243 
          0.60870607       0.00138033       0.21933042 
          0.93123127       0.55372063       0.51213726 
          0.32002762       0.27134286       0.18345207 
          0.19549992       0.65832955       0.37546952 
          0.65100818       0.66264397       0.69504046 
          0.10855542       0.41035585       0.99965123 
          0.48092902       0.48067892       0.04282562 
          0.39166462       0.51676400       0.07026089 
          0.21377707       0.45534483       0.04491178 
          0.68894907       0.40555385       0.17638395 
          0.00373149       0.44546697       0.14419515 
          0.42985538       0.50734574       0.95890230 
          0.79883437       0.09653052       0.52457692 
          0.41707518       0.00223055       0.49592515 
          0.94426346       0.12750826       0.88622569 
          0.10342488       0.14695888       0.16322275 
          0.35380101       0.09331211       0.04799234 
          0.77036097       0.13655721       0.79341951 
          0.25413628       0.24779561       0.73836002 
          0.78243563       0.32378027       0.58087824 
  
  
     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 
  
 
 
  
      25.79   25.83
      28.90   28.93
   
        123.65170997 
      25379.65936796 
     -36545.62598321 
        173.54511146 
      10239.95902789 
      -9563.30171726 
         -0.01624887 
       -409.05149431 
      12674.55391393 
       2073.37368757 
       2073.38993644 
       2073.37910386 
   
  
  
      31.10   31.11
      31.10   31.11
   
        156.80929454 
        156.79096425 
        156.80318445 
   
  
  
      30.12   30.14
      30.13   30.14
   
       -168.75943887 
       -168.75596640 
       -168.75828138 
   
  
  
      33.19   33.20
      33.19   33.20
   
       -190.04534440 
       -190.03749405 
       -190.04272762 
   
  
  
      32.31   32.32
      32.56   32.57
   
       -190.78232338 
       -190.77514926 
       -190.77993200 
   
  
  
      29.97   30.00
      31.63   31.66
   
       -176.50813917 
       -176.49043093 
       -176.50223643 
   
  
  
      32.57   32.61
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