vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 13 
  23:06:07 
 
 
  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 
    
   
   
           0.34892835       0.48883172       0.15667724 
           0.99131294       0.65038483       0.40919753 
           0.77306158       0.47647088       0.23487415 
           0.56778003       0.62003283       0.34709295 
           0.00181441       0.23760172       0.43215305 
           0.25181441       0.23760172       0.31716765 
           0.00181441       0.31051908       0.06277019 
           0.25181441       0.31051908       0.18655051 
           0.00181441       0.38702321       0.43638264 
           0.25181441       0.38702321       0.31293806 
           0.14807088       0.54547317       0.44854792 
           0.04138067       0.59043038       0.00437760 
           0.22856425       0.52967174       0.71300147 
           0.09746606       0.66803901       0.66702002 
           0.25181441       0.23760172       0.81716765 
           0.00181441       0.31051908       0.56277019 
           0.25181441       0.31051908       0.68655051 
           0.00181441       0.38702321       0.93638264 
           0.25181441       0.38702321       0.81293806 
           0.85326421       0.54646086       0.81378289 
           0.14530947       0.87601066       0.07553039 
           0.92790769       0.47906715       0.12930360 
           0.03312551       0.54336424       0.22111525 
           0.50181441       0.23760172       0.43215305 
           0.75181441       0.23760172       0.31716765 
           0.50181441       0.31051908       0.06277019 
           0.75181441       0.31051908       0.18655051 
           0.50181441       0.38702321       0.43638264 
           0.75181441       0.38702321       0.31293806 
           0.56852141       0.44670544       0.70791810 
           0.42889871       0.66056775       0.83729289 
           0.90356572       0.53426472       0.66313847 
           0.70263296       0.61382784       0.80756285 
           0.50181441       0.23760172       0.93215305 
           0.75181441       0.23760172       0.81716765 
           0.75181441       0.31051908       0.68655051 
           0.50181441       0.38702321       0.93638264 
           0.75181441       0.38702321       0.81293806 
           0.01693298       0.79129902       0.74678407 
           0.89897907       0.65403897       0.75507926 
           0.05954282       0.64776758       0.58901099 
           0.01784635       0.73056005       0.28117247 
           0.50445435       0.62619077       0.13867861 
           0.69294645       0.40665778       0.55321162 
           0.03232259       0.61788583       0.06540269 
           0.98075667       0.50524384       0.88759770 
           0.73101839       0.62046837       0.07623069 
           0.73197399       0.55262093       0.97033126 
           0.10605907       0.18480716       0.52801404 
           0.44745931       0.24699613       0.03565465 
           0.23538027       0.18158968       0.95628140 
           0.74885294       0.20355596       0.14612775 
           0.79990723       0.25001199       0.16043654 
           0.98765082       0.19432924       0.79294218 
           0.32396121       0.65098257       0.98233752 
           0.63348015       0.43577908       0.41312325 
           0.87414374       0.60833161       0.85207195 
           0.96823780       0.43465968       0.94526430 
           0.60681842       0.80391979       0.63982575 
           0.24586709       0.75067570       0.16961283 
           0.26818453       0.51890481       0.91103608 
           0.86734252       0.63418477       0.05575899 
           0.76921337       0.68854099       0.14914246 
           0.54068083       0.64051952       0.02569789 
           0.73382883       0.47613435       0.96429435 
           0.25759483       0.66737024       0.83772388 
           0.98197006       0.81192145       0.46748585 
           0.18918802       0.14945596       0.52742277 
           0.32719352       0.16485619       0.25484547 
           0.19237813       0.16853458       0.72807334 
           0.69143888       0.19181358       0.06007931 
           0.55124485       0.16980895       0.04676590 
           0.95994019       0.20723352       0.70156535 
           0.04288994       0.84699458       0.43473610 
           0.63421778       0.68731861       0.14159383 
   
  
  
           1 
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          31 
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          36 
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          49 
          50 
          51 
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          53 
          54 
          55 
          56 
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          58 
          59 
          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 
   
  
  
          0.34892835       0.48883172       0.15667724 
          0.99131294       0.65038483       0.40919753 
          0.77306158       0.47647088       0.23487415 
          0.56778003       0.62003283       0.34709295 
          0.00181441       0.23760172       0.43215305 
          0.25181441       0.23760172       0.31716765 
          0.00181441       0.31051908       0.06277019 
          0.25181441       0.31051908       0.18655051 
          0.00181441       0.38702321       0.43638264 
          0.25181441       0.38702321       0.31293806 
          0.14807088       0.54547317       0.44854792 
          0.04138067       0.59043038       0.00437760 
          0.22856425       0.52967174       0.71300147 
          0.09746606       0.66803901       0.66702002 
          0.25181441       0.23760172       0.81716765 
          0.00181441       0.31051908       0.56277019 
          0.25181441       0.31051908       0.68655051 
          0.00181441       0.38702321       0.93638264 
          0.25181441       0.38702321       0.81293806 
          0.85326421       0.54646086       0.81378289 
          0.14530947       0.87601066       0.07553039 
          0.92790769       0.47906715       0.12930360 
          0.03312551       0.54336424       0.22111525 
          0.50181441       0.23760172       0.43215305 
          0.75181441       0.23760172       0.31716765 
          0.50181441       0.31051908       0.06277019 
          0.75181441       0.31051908       0.18655051 
          0.50181441       0.38702321       0.43638264 
          0.75181441       0.38702321       0.31293806 
          0.56852141       0.44670544       0.70791810 
          0.42889871       0.66056775       0.83729289 
          0.90356572       0.53426472       0.66313847 
          0.70263296       0.61382784       0.80756285 
          0.50181441       0.23760172       0.93215305 
          0.75181441       0.23760172       0.81716765 
          0.75181441       0.31051908       0.68655051 
          0.50181441       0.38702321       0.93638264 
          0.75181441       0.38702321       0.81293806 
          0.01693298       0.79129902       0.74678407 
          0.89897907       0.65403897       0.75507926 
          0.05954282       0.64776758       0.58901099 
          0.01784635       0.73056005       0.28117247 
          0.50445435       0.62619077       0.13867861 
          0.69294645       0.40665778       0.55321162 
          0.03232259       0.61788583       0.06540269 
          0.98075667       0.50524384       0.88759770 
          0.73101839       0.62046837       0.07623069 
          0.73197399       0.55262093       0.97033126 
          0.10605907       0.18480716       0.52801404 
          0.44745931       0.24699613       0.03565465 
          0.23538027       0.18158968       0.95628140 
          0.74885294       0.20355596       0.14612775 
          0.79990723       0.25001199       0.16043654 
          0.98765082       0.19432924       0.79294218 
          0.32396121       0.65098257       0.98233752 
          0.63348015       0.43577908       0.41312325 
          0.87414374       0.60833161       0.85207195 
          0.96823780       0.43465968       0.94526430 
          0.60681842       0.80391979       0.63982575 
          0.24586709       0.75067570       0.16961283 
          0.26818453       0.51890481       0.91103608 
          0.86734252       0.63418477       0.05575899 
          0.76921337       0.68854099       0.14914246 
          0.54068083       0.64051952       0.02569789 
          0.73382883       0.47613435       0.96429435 
          0.25759483       0.66737024       0.83772388 
          0.98197006       0.81192145       0.46748585 
          0.18918802       0.14945596       0.52742277 
          0.32719352       0.16485619       0.25484547 
          0.19237813       0.16853458       0.72807334 
          0.69143888       0.19181358       0.06007931 
          0.55124485       0.16980895       0.04676590 
          0.95994019       0.20723352       0.70156535 
          0.04288994       0.84699458       0.43473610 
          0.63421778       0.68731861       0.14159383 
  
  
     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 
  
 
 
  
      26.12   26.20
      27.21   27.28
   
        123.65170997 
      21263.72490151 
     -32499.98686475 
        171.24488125 
      10239.95902789 
      -9563.30171726 
          0.01149864 
       -391.84321523 
      12674.55391393 
       2018.01413595 
       2018.00263731 
       2018.01030307 
   
  
  
      31.43   31.44
      31.43   31.44
   
        118.91874274 
        118.91519425 
        118.91755991 
   
  
  
      30.64   30.65
      30.64   30.66
   
       -216.35614162 
       -216.35097348 
       -216.35441891 
   
  
  
      31.31   31.34
      31.31   31.34
   
       -235.61105352 
       -235.60148684 
       -235.60786463 
   
  
  
      32.03   32.05
      32.31   32.34
   
       -236.35788316 
       -236.35222792 
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      30.69   30.73
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      34.96   35.01
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      32.54   32.60
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      29.64   29.71
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      28.92   28.99
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      32.45   32.51
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      30.82   30.86
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      32.40   32.45
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