vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 16 
  20:06:07 
 
 
  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 
    
   
   
           0.02013525       0.46152401       0.07528532 
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           0.26392468       0.54185305       0.31261242 
           0.00272162       0.23784632       0.43198323 
           0.25272162       0.23784632       0.31699783 
           0.00272162       0.31076368       0.06260037 
           0.25272162       0.31076368       0.18638069 
           0.00272162       0.38726781       0.43621282 
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           0.01187373       0.46545251       0.55525455 
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           0.25576769       0.46908552       0.69142865 
           0.23985599       0.55152804       0.81456747 
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           0.00272162       0.31076368       0.56260037 
           0.25272162       0.31076368       0.68638069 
           0.00272162       0.38726781       0.93621282 
           0.25272162       0.38726781       0.81276824 
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           0.75272162       0.38726781       0.31276824 
           0.50535895       0.46622619       0.56000169 
           0.48741725       0.55359752       0.94084149 
           0.76177465       0.46524154       0.67986833 
           0.75487846       0.53084033       0.84297971 
           0.50272162       0.23784632       0.93198323 
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           0.75272162       0.31076368       0.68638069 
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           0.27597525       0.59431457       0.21295069 
           0.02875758       0.59255892       0.05487809 
           0.77115457       0.59051897       0.20307464 
           0.51124210       0.60409196       0.03979611 
           0.71008429       0.47509959       0.93265334 
           0.98749231       0.18415283       0.52871042 
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           0.18304691       0.17793142       0.79031513 
           0.78153736       0.18344595       0.22837277 
           0.51406457       0.18577634       0.03039235 
           0.82125027       0.18154853       0.75284403 
           0.26005178       0.70015903       0.92125967 
           0.72920816       0.68930385       0.37688358 
           0.85748986       0.66222811       0.85208972 
           0.53262887       0.70494406       0.63642996 
           0.08535232       0.71892201       0.64301564 
           0.07764616       0.59987870       0.58769977 
           0.17145646       0.59691924       0.15386511 
           0.92288677       0.59578904       0.11218593 
           0.66863758       0.59765765       0.14839861 
           0.41703448       0.60592475       0.10463548 
           0.81315113       0.45151221       0.94740174 
           0.23792735       0.70648958       0.42547522 
           0.30182376       0.65682131       0.32975500 
           0.99808188       0.14968984       0.48980607 
           0.12933242       0.17444687       0.19423572 
           0.05726680       0.17304179       0.77331194 
           0.69899450       0.17896293       0.15916116 
           0.41252664       0.18156629       0.08620843 
           0.85762027       0.18347950       0.66427782 
           0.30922004       0.76611249       0.33811746 
           0.31687599       0.67773234       0.40657164 
   
  
  
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          64 
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          68 
          69 
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          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
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    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 
   
  
  
          0.02013525       0.46152401       0.07528532 
          0.00990884       0.54343295       0.43369053 
          0.27420605       0.46368225       0.19335166 
          0.26392468       0.54185305       0.31261242 
          0.00272162       0.23784632       0.43198323 
          0.25272162       0.23784632       0.31699783 
          0.00272162       0.31076368       0.06260037 
          0.25272162       0.31076368       0.18638069 
          0.00272162       0.38726781       0.43621282 
          0.25272162       0.38726781       0.31276824 
          0.01187373       0.46545251       0.55525455 
          0.01739985       0.54082447       0.95679499 
          0.25576769       0.46908552       0.69142865 
          0.23985599       0.55152804       0.81456747 
          0.25272162       0.23784632       0.81699783 
          0.00272162       0.31076368       0.56260037 
          0.25272162       0.31076368       0.68638069 
          0.00272162       0.38726781       0.93621282 
          0.25272162       0.38726781       0.81276824 
          0.51237776       0.46770796       0.05144906 
          0.51926234       0.54473251       0.43556846 
          0.75419231       0.46295750       0.19141876 
          0.76415786       0.54023390       0.30649540 
          0.50272162       0.23784632       0.43198323 
          0.75272162       0.23784632       0.31699783 
          0.50272162       0.31076368       0.06260037 
          0.75272162       0.31076368       0.18638069 
          0.50272162       0.38726781       0.43621282 
          0.75272162       0.38726781       0.31276824 
          0.50535895       0.46622619       0.56000169 
          0.48741725       0.55359752       0.94084149 
          0.76177465       0.46524154       0.67986833 
          0.75487846       0.53084033       0.84297971 
          0.50272162       0.23784632       0.93198323 
          0.75272162       0.23784632       0.81699783 
          0.75272162       0.31076368       0.68638069 
          0.50272162       0.38726781       0.93621282 
          0.75272162       0.38726781       0.81276824 
          0.10677155       0.66845792       0.78769648 
          0.51267215       0.66548399       0.47497491 
          0.18296534       0.61021988       0.74323155 
          0.54538965       0.60245227       0.51465515 
          0.98902848       0.59524005       0.52937559 
          0.27597525       0.59431457       0.21295069 
          0.02875758       0.59255892       0.05487809 
          0.77115457       0.59051897       0.20307464 
          0.51124210       0.60409196       0.03979611 
          0.71008429       0.47509959       0.93265334 
          0.98749231       0.18415283       0.52871042 
          0.24730475       0.18446422       0.21894457 
          0.18304691       0.17793142       0.79031513 
          0.78153736       0.18344595       0.22837277 
          0.51406457       0.18577634       0.03039235 
          0.82125027       0.18154853       0.75284403 
          0.26005178       0.70015903       0.92125967 
          0.72920816       0.68930385       0.37688358 
          0.85748986       0.66222811       0.85208972 
          0.53262887       0.70494406       0.63642996 
          0.08535232       0.71892201       0.64301564 
          0.07764616       0.59987870       0.58769977 
          0.17145646       0.59691924       0.15386511 
          0.92288677       0.59578904       0.11218593 
          0.66863758       0.59765765       0.14839861 
          0.41703448       0.60592475       0.10463548 
          0.81315113       0.45151221       0.94740174 
          0.23792735       0.70648958       0.42547522 
          0.30182376       0.65682131       0.32975500 
          0.99808188       0.14968984       0.48980607 
          0.12933242       0.17444687       0.19423572 
          0.05726680       0.17304179       0.77331194 
          0.69899450       0.17896293       0.15916116 
          0.41252664       0.18156629       0.08620843 
          0.85762027       0.18347950       0.66427782 
          0.30922004       0.76611249       0.33811746 
          0.31687599       0.67773234       0.40657164 
  
  
     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 
  
 
 
  
      38.45   38.56
      39.45   39.56
   
        123.65170997 
      23558.10523477 
     -35034.71743596 
        173.34183998 
      10239.95902789 
      -9563.30171726 
         -0.02686433 
       -344.44779435 
      12674.55391393 
       1827.11791463 
       1827.14477896 
       1827.12686941 
   
  
  
      51.02   51.02
      51.03   51.02
   
       -110.23086468 
       -110.18231006 
       -110.21467981 
   
  
  
      45.57   45.56
      45.57   45.57
   
       -406.39679565 
       -406.31854972 
       -406.37071368 
   
  
  
      48.21   48.20
      48.21   48.20
   
       -419.82046482 
       -419.73960979 
       -419.79351314 
   
  
  
      49.71   49.70
      50.14   50.13
   
       -420.30686775 
       -420.22603725 
       -420.27992425 
   
  
  
      49.03   49.02
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      47.84   47.84
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      46.78   46.78
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      46.35   46.34
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      53.30   53.29
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