vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 13 
  23:06:09 
 
 
  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 
    
   
   
           0.05481230       0.47309974       0.05232076 
           0.94118881       0.70369263       0.36488121 
           0.31676502       0.53895017       0.16672417 
           0.03964169       0.60681540       0.42608046 
           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 
           0.96417700       0.58676999       0.54105306 
           0.89233595       0.57509078       0.01716016 
           0.11497986       0.45202932       0.76917161 
           0.08412665       0.51331526       0.87319089 
           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 
           0.59718375       0.48310916       0.02547871 
           0.23018145       0.61720911       0.48685033 
           0.81596166       0.48283840       0.23195256 
           0.66485568       0.59315078       0.46783176 
           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 
           0.41826058       0.49416446       0.67480087 
           0.31180872       0.53847874       0.91669501 
           0.71927031       0.46821250       0.73194728 
           0.69002787       0.56593960       0.88745068 
           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 
           0.11077260       0.62630573       0.78298066 
           0.31529846       0.85020117       0.46949560 
           0.34933143       0.57012905       0.70180594 
           0.56896247       0.60076512       0.22880782 
           0.59079727       0.96315513       0.21724761 
           0.18583458       0.80133683       0.58615554 
           0.02282368       0.63913675       0.08125509 
           0.59669960       0.60306205       0.19248467 
           0.22809528       0.58559678       0.07313531 
           0.69313799       0.53560755       0.06930617 
           0.00964256       0.19143719       0.56664043 
           0.27619292       0.18191382       0.22828816 
           0.19599974       0.16058789       0.95099213 
           0.59267763       0.17830451       0.21429362 
           0.62490921       0.21529796       0.09748924 
           0.67911653       0.16358798       0.80822587 
           0.13384290       0.73013560       0.83972230 
           0.17295204       0.78476932       0.81375429 
           0.83222960       0.71211014       0.72492332 
           0.63836123       0.75652418       0.46592270 
           0.18154838       0.68310331       0.61692257 
           0.21249828       0.68271572       0.21901170 
           0.99242496       0.72530208       0.34777353 
           0.92703076       0.58974185       0.18273117 
           0.52765609       0.52241001       0.02454980 
           0.18087135       0.59187801       0.17240670 
           0.59553812       0.40693033       0.88863403 
           0.03651993       0.10719901       0.26176319 
           0.93366931       0.79138099       0.41130757 
           0.92177584       0.16463506       0.45083640 
           0.13308326       0.15230717       0.28172396 
           0.05693252       0.19907557       0.82612296 
           0.46161879       0.19938286       0.14372630 
           0.39788364       0.17379995       0.04473207 
           0.77820749       0.17701787       0.73660165 
           0.37607653       0.62223758       0.84951727 
           0.15361069       0.31967188       0.14741111 
   
  
  
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          31 
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          49 
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          51 
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          53 
          54 
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          60 
          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 
   
  
  
          0.05481230       0.47309974       0.05232076 
          0.94118881       0.70369263       0.36488121 
          0.31676502       0.53895017       0.16672417 
          0.03964169       0.60681540       0.42608046 
          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 
          0.96417700       0.58676999       0.54105306 
          0.89233595       0.57509078       0.01716016 
          0.11497986       0.45202932       0.76917161 
          0.08412665       0.51331526       0.87319089 
          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 
          0.59718375       0.48310916       0.02547871 
          0.23018145       0.61720911       0.48685033 
          0.81596166       0.48283840       0.23195256 
          0.66485568       0.59315078       0.46783176 
          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 
          0.41826058       0.49416446       0.67480087 
          0.31180872       0.53847874       0.91669501 
          0.71927031       0.46821250       0.73194728 
          0.69002787       0.56593960       0.88745068 
          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 
          0.11077260       0.62630573       0.78298066 
          0.31529846       0.85020117       0.46949560 
          0.34933143       0.57012905       0.70180594 
          0.56896247       0.60076512       0.22880782 
          0.59079727       0.96315513       0.21724761 
          0.18583458       0.80133683       0.58615554 
          0.02282368       0.63913675       0.08125509 
          0.59669960       0.60306205       0.19248467 
          0.22809528       0.58559678       0.07313531 
          0.69313799       0.53560755       0.06930617 
          0.00964256       0.19143719       0.56664043 
          0.27619292       0.18191382       0.22828816 
          0.19599974       0.16058789       0.95099213 
          0.59267763       0.17830451       0.21429362 
          0.62490921       0.21529796       0.09748924 
          0.67911653       0.16358798       0.80822587 
          0.13384290       0.73013560       0.83972230 
          0.17295204       0.78476932       0.81375429 
          0.83222960       0.71211014       0.72492332 
          0.63836123       0.75652418       0.46592270 
          0.18154838       0.68310331       0.61692257 
          0.21249828       0.68271572       0.21901170 
          0.99242496       0.72530208       0.34777353 
          0.92703076       0.58974185       0.18273117 
          0.52765609       0.52241001       0.02454980 
          0.18087135       0.59187801       0.17240670 
          0.59553812       0.40693033       0.88863403 
          0.03651993       0.10719901       0.26176319 
          0.93366931       0.79138099       0.41130757 
          0.92177584       0.16463506       0.45083640 
          0.13308326       0.15230717       0.28172396 
          0.05693252       0.19907557       0.82612296 
          0.46161879       0.19938286       0.14372630 
          0.39788364       0.17379995       0.04473207 
          0.77820749       0.17701787       0.73660165 
          0.37607653       0.62223758       0.84951727 
          0.15361069       0.31967188       0.14741111 
  
  
     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 
  
 
 
  
      26.18   26.23
      27.60   27.65
   
        123.65170997 
      12393.81696872 
     -23429.10576350 
        168.03100125 
      10239.95902789 
      -9563.30171726 
         -0.00970198 
       -455.44328321 
      12674.55391393 
       2152.15215581 
       2152.16185779 
       2152.15538981 
   
  
  
      30.71   30.73
      30.71   30.73
   
        303.24941435 
        303.24092539 
        303.24658470 
   
  
  
      30.32   30.35
      30.32   30.35
   
          4.61678998 
          4.65353078 
          4.62903691 
   
  
  
      30.20   30.22
      30.20   30.22
   
        -10.52400667 
        -10.50133457 
        -10.51644930 
   
  
  
      32.00   32.02
      32.45   32.47
   
        -11.15722743 
        -11.13698282 
        -11.15047923 
   
  
  
      33.58   33.61
      35.34   35.36
   
         -1.35622662 
         -1.31579376 
         -1.34274900 
   
  
  
      34.20   34.25
      35.57   35.62
   
        -52.10467165 
        -52.08523349 
        -52.09819226 
   
  
  
      35.41   35.46
      37.18   37.23
   
         11.18593242 
         11.19496373 
         11.18894286 
   
  
  
      34.53   34.57
      35.84   35.88
   
         36.18437854 
         36.18800643 
         36.18558784 
   
  
  
      30.31   30.34
      31.77   31.82
   
         54.05737170 
         54.01988788 
         54.04487709 
   
  
  
      29.92   29.98
      31.43   31.49
   
         64.33803878 
         64.28979029 
         64.32195595 
   
  
  
      27.12   27.20
      28.40   28.49
   
         62.34183089 
         62.32678157 
         62.33681445 
   
  
  
      32.53   32.59
      33.88   33.94
   
         65.40453742 
         65.36679050 
         65.39195512 
   
  
  
      33.75   33.79
      35.34   35.38
   
         66.10667040 
         66.31926428 
         66.17753503 
   
  
  
      32.63   32.68
      33.97   34.02
   
         66.34526367 
         66.35903556 
         66.34985430 
   
  
  
      28.50   28.54
      30.27   30.32
   
         67.45184598 
         67.53888514 
         67.48085903 
   
  
  
      29.90   29.94
      31.83   31.88
   
         67.55190911 
         67.69294620 
         67.59892147 
   
  
  
      27.24   27.31
      28.83   28.90
   
         67.57819656 
         67.70908504 
         67.62182605 
   
  
  
      35.36   35.41
      36.85   36.91
   
         67.71851470 
         67.89126623 
         67.77609855 
   
  
  
      28.81   28.89
      30.40   30.47
   
         67.62498913 
         67.71170542 
         67.65389456 
   
  
  
      31.48   31.52
      32.83   32.87
   
         68.05042111 
         68.20706894 
         68.10263705 
   
  
  
      27.84   27.90
      29.35   29.40
   
         67.97663984 
         68.06987131 
         68.00771700 
   
  
  
      25.71   25.76
      27.07   27.12
   
         68.27672878 
         68.35809293 
         68.30385017 
   
  
  
      35.63   35.68
      37.07   37.12
   
         68.10571996 
         68.22394309 
         68.14512767 
   
  
  
      25.65   25.71
      27.19   27.25
   
         67.93237551 
         67.98429371 
         67.94968158 
   
  
  
      26.40   26.44
      27.80   27.84
   
         68.08545309 
         68.13952667 
         68.10347762 
   
  
  
      33.78   33.83
      35.22   35.27
   
         68.31012532 
         68.39483591 
         68.33836218 
   
  
  
      26.03   26.08
      27.58   27.63
   
         68.15870471 
         68.25835966 
         68.19192302 
   
  
  
      28.77   28.85
      30.50   30.58
   
         67.93111337 
         67.97990400 
         67.94737691 
   
  
  
      26.95   27.01
      28.85   28.92
   
         67.92236300 
         67.97328634 
         67.93933745 
   
  
  
      27.48   27.55
      29.34   29.41
   
         67.69762161 
         67.74738687 
         67.71421003 
   
  
  
      25.80   25.85
      27.38   27.43
   
         67.73237052 
         67.78189272 
         67.74887792 
   
  
  
      29.84   29.90
      31.40   31.47
   
         67.71691668 
         67.75917399 
         67.73100245 
   
  
  
      26.76   26.79
      28.50   28.54
   
         68.10480635 
         68.15962845 
         68.12308038 
   
  
  
      25.81   25.85
      27.73   27.77
   
         67.92539390 
         67.96448958 
         67.93842579