vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 16 
  20:06:05 
 
 
  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 
    
   
   
           0.01837836       0.46103670       0.07571246 
           0.00670433       0.54251435       0.43407985 
           0.27135973       0.46337858       0.19459669 
           0.26063147       0.54169906       0.31345569 
           0.00090721       0.23735711       0.43232288 
           0.25090721       0.23735711       0.31733748 
           0.00090721       0.31027447       0.06294002 
           0.25090721       0.31027447       0.18672034 
           0.00090721       0.38677860       0.43655247 
           0.25090721       0.38677860       0.31310789 
           0.00994985       0.46472463       0.55545594 
           0.01566986       0.54025834       0.95673057 
           0.25372887       0.46843778       0.69170463 
           0.23896477       0.55066746       0.81509860 
           0.25090721       0.23735711       0.81733748 
           0.00090721       0.31027447       0.56294002 
           0.25090721       0.31027447       0.68672034 
           0.00090721       0.38677860       0.93655247 
           0.25090721       0.38677860       0.81310789 
           0.50963526       0.46701084       0.05258268 
           0.51497881       0.54423525       0.43472845 
           0.75218551       0.46241259       0.19199436 
           0.76043436       0.53979804       0.30704463 
           0.50090721       0.23735711       0.43232288 
           0.75090721       0.23735711       0.31733748 
           0.50090721       0.31027447       0.06294002 
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           0.50090721       0.38677860       0.43655247 
           0.75090721       0.38677860       0.31310789 
           0.50306876       0.46590395       0.56003962 
           0.48588031       0.55252526       0.94137922 
           0.75961941       0.46444880       0.67982072 
           0.75324823       0.52987052       0.84337174 
           0.50090721       0.23735711       0.93232288 
           0.75090721       0.23735711       0.81733748 
           0.75090721       0.31027447       0.68672034 
           0.50090721       0.38677860       0.93655247 
           0.75090721       0.38677860       0.81310789 
           0.10887272       0.66723690       0.78648853 
           0.52392635       0.66503709       0.48022356 
           0.18598170       0.60995031       0.74308911 
           0.53329587       0.60241651       0.51343925 
           0.98397984       0.59354820       0.53090941 
           0.27208223       0.59494687       0.21625255 
           0.02665985       0.59182225       0.05551441 
           0.76753502       0.59023484       0.20368266 
           0.50825600       0.60336276       0.04030661 
           0.70807567       0.47414534       0.93277795 
           0.98529610       0.18359744       0.52906895 
           0.24664232       0.18360237       0.22024431 
           0.18083604       0.17734051       0.79128882 
           0.77748927       0.18266099       0.22946403 
           0.51200616       0.18512621       0.03061127 
           0.81882901       0.18088512       0.75340770 
           0.25965274       0.69955998       0.92159538 
           0.74710317       0.68774568       0.38774629 
           0.85864134       0.66091857       0.85027785 
           0.53869599       0.70552405       0.64254012 
           0.08960516       0.71752054       0.64144572 
           0.07819482       0.60027460       0.58734451 
           0.17004320       0.59682815       0.15576413 
           0.92065230       0.59492638       0.11236653 
           0.66539861       0.59664557       0.14779384 
           0.41438820       0.60506444       0.10543998 
           0.81177947       0.45092835       0.94877850 
           0.29607339       0.71690101       0.40022010 
           0.30575855       0.65836276       0.33111539 
           0.99495854       0.14910445       0.48990746 
           0.12893692       0.17309901       0.19558866 
           0.05484683       0.17252694       0.77447944 
           0.69516431       0.17847201       0.15990507 
           0.41065197       0.18092956       0.08662136 
           0.85570119       0.18287162       0.66499463 
           0.34207781       0.79443602       0.30882591 
           0.33166137       0.68269026       0.40681224 
   
  
  
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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 
   
  
  
          0.01837836       0.46103670       0.07571246 
          0.00670433       0.54251435       0.43407985 
          0.27135973       0.46337858       0.19459669 
          0.26063147       0.54169906       0.31345569 
          0.00090721       0.23735711       0.43232288 
          0.25090721       0.23735711       0.31733748 
          0.00090721       0.31027447       0.06294002 
          0.25090721       0.31027447       0.18672034 
          0.00090721       0.38677860       0.43655247 
          0.25090721       0.38677860       0.31310789 
          0.00994985       0.46472463       0.55545594 
          0.01566986       0.54025834       0.95673057 
          0.25372887       0.46843778       0.69170463 
          0.23896477       0.55066746       0.81509860 
          0.25090721       0.23735711       0.81733748 
          0.00090721       0.31027447       0.56294002 
          0.25090721       0.31027447       0.68672034 
          0.00090721       0.38677860       0.93655247 
          0.25090721       0.38677860       0.81310789 
          0.50963526       0.46701084       0.05258268 
          0.51497881       0.54423525       0.43472845 
          0.75218551       0.46241259       0.19199436 
          0.76043436       0.53979804       0.30704463 
          0.50090721       0.23735711       0.43232288 
          0.75090721       0.23735711       0.31733748 
          0.50090721       0.31027447       0.06294002 
          0.75090721       0.31027447       0.18672034 
          0.50090721       0.38677860       0.43655247 
          0.75090721       0.38677860       0.31310789 
          0.50306876       0.46590395       0.56003962 
          0.48588031       0.55252526       0.94137922 
          0.75961941       0.46444880       0.67982072 
          0.75324823       0.52987052       0.84337174 
          0.50090721       0.23735711       0.93232288 
          0.75090721       0.23735711       0.81733748 
          0.75090721       0.31027447       0.68672034 
          0.50090721       0.38677860       0.93655247 
          0.75090721       0.38677860       0.81310789 
          0.10887272       0.66723690       0.78648853 
          0.52392635       0.66503709       0.48022356 
          0.18598170       0.60995031       0.74308911 
          0.53329587       0.60241651       0.51343925 
          0.98397984       0.59354820       0.53090941 
          0.27208223       0.59494687       0.21625255 
          0.02665985       0.59182225       0.05551441 
          0.76753502       0.59023484       0.20368266 
          0.50825600       0.60336276       0.04030661 
          0.70807567       0.47414534       0.93277795 
          0.98529610       0.18359744       0.52906895 
          0.24664232       0.18360237       0.22024431 
          0.18083604       0.17734051       0.79128882 
          0.77748927       0.18266099       0.22946403 
          0.51200616       0.18512621       0.03061127 
          0.81882901       0.18088512       0.75340770 
          0.25965274       0.69955998       0.92159538 
          0.74710317       0.68774568       0.38774629 
          0.85864134       0.66091857       0.85027785 
          0.53869599       0.70552405       0.64254012 
          0.08960516       0.71752054       0.64144572 
          0.07819482       0.60027460       0.58734451 
          0.17004320       0.59682815       0.15576413 
          0.92065230       0.59492638       0.11236653 
          0.66539861       0.59664557       0.14779384 
          0.41438820       0.60506444       0.10543998 
          0.81177947       0.45092835       0.94877850 
          0.29607339       0.71690101       0.40022010 
          0.30575855       0.65836276       0.33111539 
          0.99495854       0.14910445       0.48990746 
          0.12893692       0.17309901       0.19558866 
          0.05484683       0.17252694       0.77447944 
          0.69516431       0.17847201       0.15990507 
          0.41065197       0.18092956       0.08662136 
          0.85570119       0.18287162       0.66499463 
          0.34207781       0.79443602       0.30882591 
          0.33166137       0.68269026       0.40681224 
  
  
     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 
  
 
 
  
      32.66   32.76
      33.69   33.79
   
        123.65170997 
      23389.19513137 
     -34866.41399674 
        173.12208380 
      10239.95902789 
      -9563.30171726 
         -0.01408343 
       -346.14689716 
      12674.55391393 
       1824.60517237 
       1824.61925580 
       1824.60986685 
   
  
  
      50.86   50.86
      50.87   50.86
   
       -109.12809970 
       -109.11158129 
       -109.12259356 
   
  
  
      45.81   45.80
      45.81   45.80
   
       -406.35470948 
       -406.28140058 
       -406.33027318 
   
  
  
      48.25   48.24
      48.25   48.25
   
       -419.83133045 
       -419.74984150 
       -419.80416747 
   
  
  
      49.82   49.81
      50.20   50.20
   
       -420.32307987 
       -420.24155752 
       -420.29590575 
   
  
  
      49.22   49.21
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      45.04   45.04
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      46.88   46.87
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      46.25   46.25
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      46.64   46.63
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      46.21   46.20
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      46.05   46.04
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      47.20   47.19
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      44.47   44.46
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      45.87   45.86
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      45.77   45.76
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      44.54   44.53
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      46.61   46.60
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      43.89   43.88
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      45.06   45.06
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      46.14   46.14
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      44.98   44.98
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      44.81   44.81
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      47.52   47.51
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      34.55   34.54
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       -392.73676547 
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