vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 16 
  20:06:11 
 
 
  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 
    
   
   
           0.02057751       0.46241599       0.07401213 
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           0.27344324       0.46387463       0.19016383 
           0.26403660       0.54102460       0.31058049 
           0.00635044       0.23882474       0.43130394 
           0.25635044       0.23882474       0.31631854 
           0.00635044       0.31174210       0.06192108 
           0.25635044       0.31174210       0.18570140 
           0.00635044       0.38824623       0.43553353 
           0.25635044       0.38824623       0.31208895 
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           0.01899915       0.54079339       0.95843554 
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           0.24138818       0.54952837       0.81640107 
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           0.25635044       0.31174210       0.68570140 
           0.00635044       0.38824623       0.93553353 
           0.25635044       0.38824623       0.81208895 
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           0.75635044       0.38824623       0.31208895 
           0.50679065       0.46628451       0.56035641 
           0.49005467       0.55344004       0.94136021 
           0.76195674       0.46581732       0.67913660 
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           0.50635044       0.23882474       0.93130394 
           0.75635044       0.23882474       0.81631854 
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           0.75635044       0.38824623       0.81208895 
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           0.52265460       0.67096004       0.47487579 
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           0.50686196       0.60949682       0.50336212 
           0.00482052       0.60066150       0.51941558 
           0.27163359       0.60121034       0.22567807 
           0.03379457       0.59447647       0.05574436 
           0.77101067       0.59319206       0.20642056 
           0.51163348       0.60579535       0.03896714 
           0.71191059       0.47663357       0.93367729 
           0.98917466       0.18499728       0.52863387 
           0.24645952       0.18464599       0.21869854 
           0.18593444       0.17867612       0.78910957 
           0.78631117       0.18372382       0.22748333 
           0.51490576       0.18633831       0.02938425 
           0.82126132       0.18182637       0.75205443 
           0.26001653       0.70200664       0.91990923 
           0.71793257       0.69430176       0.36176786 
           0.85424486       0.66510613       0.85327081 
           0.53016437       0.70842035       0.63722014 
           0.08518598       0.71987891       0.64244331 
           0.07378856       0.59759684       0.59204668 
           0.17556543       0.59819107       0.15725657 
           0.92617873       0.59570070       0.11209349 
           0.67056681       0.59691415       0.14739819 
           0.41817397       0.60579352       0.10431855 
           0.81315830       0.45167543       0.94512448 
           0.20750175       0.69250866       0.44614488 
           0.29652048       0.67192520       0.31893843 
           0.99964182       0.15066746       0.48872151 
           0.12766859       0.17600788       0.19243957 
           0.05947508       0.17420037       0.77301038 
           0.70150323       0.17986297       0.15914886 
           0.41355538       0.18258718       0.08576687 
           0.85837172       0.18405132       0.66360552 
           0.32971192       0.70423240       0.36363482 
           0.30048479       0.68867916       0.39527243 
   
  
  
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          62 
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          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 
   
  
  
          0.02057751       0.46241599       0.07401213 
          0.01160716       0.54333999       0.43422771 
          0.27344324       0.46387463       0.19016383 
          0.26403660       0.54102460       0.31058049 
          0.00635044       0.23882474       0.43130394 
          0.25635044       0.23882474       0.31631854 
          0.00635044       0.31174210       0.06192108 
          0.25635044       0.31174210       0.18570140 
          0.00635044       0.38824623       0.43553353 
          0.25635044       0.38824623       0.31208895 
          0.01275603       0.46595621       0.55684097 
          0.01899915       0.54079339       0.95843554 
          0.25786235       0.46973955       0.69049411 
          0.24138818       0.54952837       0.81640107 
          0.25635044       0.23882474       0.81631854 
          0.00635044       0.31174210       0.56192108 
          0.25635044       0.31174210       0.68570140 
          0.00635044       0.38824623       0.93553353 
          0.25635044       0.38824623       0.81208895 
          0.51393271       0.46831546       0.05228001 
          0.51667723       0.54161094       0.43208881 
          0.75659431       0.46333017       0.19099493 
          0.76641029       0.54033376       0.30587946 
          0.50635044       0.23882474       0.43130394 
          0.75635044       0.23882474       0.31631854 
          0.50635044       0.31174210       0.06192108 
          0.75635044       0.31174210       0.18570140 
          0.50635044       0.38824623       0.43553353 
          0.75635044       0.38824623       0.31208895 
          0.50679065       0.46628451       0.56035641 
          0.49005467       0.55344004       0.94136021 
          0.76195674       0.46581732       0.67913660 
          0.75726681       0.53097992       0.84198973 
          0.50635044       0.23882474       0.93130394 
          0.75635044       0.23882474       0.81631854 
          0.75635044       0.31174210       0.68570140 
          0.50635044       0.38824623       0.93553353 
          0.75635044       0.38824623       0.81208895 
          0.10337887       0.66682742       0.79170018 
          0.52265460       0.67096004       0.47487579 
          0.18432578       0.61144161       0.74079154 
          0.50686196       0.60949682       0.50336212 
          0.00482052       0.60066150       0.51941558 
          0.27163359       0.60121034       0.22567807 
          0.03379457       0.59447647       0.05574436 
          0.77101067       0.59319206       0.20642056 
          0.51163348       0.60579535       0.03896714 
          0.71191059       0.47663357       0.93367729 
          0.98917466       0.18499728       0.52863387 
          0.24645952       0.18464599       0.21869854 
          0.18593444       0.17867612       0.78910957 
          0.78631117       0.18372382       0.22748333 
          0.51490576       0.18633831       0.02938425 
          0.82126132       0.18182637       0.75205443 
          0.26001653       0.70200664       0.91990923 
          0.71793257       0.69430176       0.36176786 
          0.85424486       0.66510613       0.85327081 
          0.53016437       0.70842035       0.63722014 
          0.08518598       0.71987891       0.64244331 
          0.07378856       0.59759684       0.59204668 
          0.17556543       0.59819107       0.15725657 
          0.92617873       0.59570070       0.11209349 
          0.67056681       0.59691415       0.14739819 
          0.41817397       0.60579352       0.10431855 
          0.81315830       0.45167543       0.94512448 
          0.20750175       0.69250866       0.44614488 
          0.29652048       0.67192520       0.31893843 
          0.99964182       0.15066746       0.48872151 
          0.12766859       0.17600788       0.19243957 
          0.05947508       0.17420037       0.77301038 
          0.70150323       0.17986297       0.15914886 
          0.41355538       0.18258718       0.08576687 
          0.85837172       0.18405132       0.66360552 
          0.32971192       0.70423240       0.36363482 
          0.30048479       0.68867916       0.39527243 
  
  
     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 
  
 
 
  
      42.00   42.19
      42.89   43.09
   
        123.65170997 
      23287.98281740 
     -34720.18511290 
        174.48237201 
      10239.95902789 
      -9563.30171726 
         -0.04402005 
       -359.29614238 
      12674.55391393 
       1857.80284862 
       1857.84686867 
       1857.81752197 
   
  
  
      50.88   50.88
      50.89   50.88
   
        -98.13663542 
        -98.14091285 
        -98.13806123 
   
  
  
      46.12   46.12
      46.13   46.12
   
       -396.65785662 
       -396.65946436 
       -396.65839253 
   
  
  
      48.64   48.63
      48.64   48.64
   
       -409.97289883 
       -409.97723421 
       -409.97434396 
   
  
  
      49.27   49.26
      49.71   49.70
   
       -410.45618905 
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      49.09   49.08
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      44.75   44.74
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      49.43   49.43
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      47.36   47.36
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      48.11   48.10
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      46.73   46.73
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      47.55   47.54
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      47.17   47.17
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      46.79   46.78
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      29.99   29.98
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      29.03   29.02
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