vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 13 
  19:01:21 
 
 
  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 
    
   
   
           0.22142038       0.47191243       0.10783573 
           0.95886487       0.59020425       0.42977495 
           0.56163987       0.46946859       0.23847284 
           0.35817949       0.56549648       0.34551578 
           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 
           0.05645113       0.50212091       0.48446674 
           0.03475025       0.55832818       0.97886885 
           0.21054668       0.49273865       0.74817306 
           0.17122879       0.60295032       0.77371994 
           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 
           0.73476517       0.50383625       0.86716972 
           0.76187328       0.68810748       0.75724216 
           0.83068825       0.47279423       0.19654369 
           0.85237169       0.53890816       0.26388039 
           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 
           0.47530398       0.44750064       0.63859789 
           0.42969377       0.59483916       0.85969493 
           0.82861528       0.49488109       0.68814613 
           0.72611311       0.56623978       0.83440506 
           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 
           0.05586737       0.68525135       0.78130786 
           0.76847285       0.59110306       0.66062847 
           0.14215614       0.66980407       0.63799337 
           0.21146001       0.62271973       0.52474416 
           0.79450989       0.62553873       0.79740776 
           0.33779245       0.51889407       0.92554208 
           0.02295064       0.61303602       0.11440021 
           0.76960612       0.55264710       0.04877787 
           0.56401041       0.60624651       0.09726104 
           0.70706690       0.51428462       0.98238575 
           0.04511775       0.17303463       0.53300476 
           0.31509144       0.21249879       0.12208296 
           0.14798635       0.17243264       0.92537479 
           0.68031127       0.18843114       0.17122718 
           0.72281206       0.21911362       0.11668817 
           0.85940402       0.18516902       0.76583001 
           0.29445357       0.67827386       0.97558501 
           0.29907137       0.57690296       0.44193179 
           0.86900830       0.63073907       0.84955782 
           0.32813651       0.58862590       0.35442341 
           0.84801268       0.74138406       0.60882843 
           0.14935092       0.67996772       0.42593506 
           0.23159622       0.57407669       0.10176144 
           0.89657827       0.61479326       0.09064014 
           0.71950288       0.63285116       0.16307905 
           0.46834576       0.62254617       0.08807914 
           0.72749412       0.45154973       0.94122133 
           0.37838868       0.65063628       0.43740597 
           0.17692121       0.63914531       0.41979693 
           0.07010090       0.14793706       0.50706047 
           0.27261914       0.16412181       0.24492709 
           0.15975824       0.16884229       0.76900569 
           0.62295143       0.18983912       0.09003703 
           0.45139703       0.16642701       0.08602873 
           0.87800412       0.18651010       0.74283841 
           0.54495920       0.24523144       0.94267439 
           0.38634046       0.79548258       0.82414473 
   
  
  
           1 
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          49 
          50 
          51 
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          53 
          54 
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          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 
   
  
  
          0.22142038       0.47191243       0.10783573 
          0.95886487       0.59020425       0.42977495 
          0.56163987       0.46946859       0.23847284 
          0.35817949       0.56549648       0.34551578 
          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 
          0.05645113       0.50212091       0.48446674 
          0.03475025       0.55832818       0.97886885 
          0.21054668       0.49273865       0.74817306 
          0.17122879       0.60295032       0.77371994 
          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 
          0.73476517       0.50383625       0.86716972 
          0.76187328       0.68810748       0.75724216 
          0.83068825       0.47279423       0.19654369 
          0.85237169       0.53890816       0.26388039 
          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 
          0.47530398       0.44750064       0.63859789 
          0.42969377       0.59483916       0.85969493 
          0.82861528       0.49488109       0.68814613 
          0.72611311       0.56623978       0.83440506 
          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 
          0.05586737       0.68525135       0.78130786 
          0.76847285       0.59110306       0.66062847 
          0.14215614       0.66980407       0.63799337 
          0.21146001       0.62271973       0.52474416 
          0.79450989       0.62553873       0.79740776 
          0.33779245       0.51889407       0.92554208 
          0.02295064       0.61303602       0.11440021 
          0.76960612       0.55264710       0.04877787 
          0.56401041       0.60624651       0.09726104 
          0.70706690       0.51428462       0.98238575 
          0.04511775       0.17303463       0.53300476 
          0.31509144       0.21249879       0.12208296 
          0.14798635       0.17243264       0.92537479 
          0.68031127       0.18843114       0.17122718 
          0.72281206       0.21911362       0.11668817 
          0.85940402       0.18516902       0.76583001 
          0.29445357       0.67827386       0.97558501 
          0.29907137       0.57690296       0.44193179 
          0.86900830       0.63073907       0.84955782 
          0.32813651       0.58862590       0.35442341 
          0.84801268       0.74138406       0.60882843 
          0.14935092       0.67996772       0.42593506 
          0.23159622       0.57407669       0.10176144 
          0.89657827       0.61479326       0.09064014 
          0.71950288       0.63285116       0.16307905 
          0.46834576       0.62254617       0.08807914 
          0.72749412       0.45154973       0.94122133 
          0.37838868       0.65063628       0.43740597 
          0.17692121       0.63914531       0.41979693 
          0.07010090       0.14793706       0.50706047 
          0.27261914       0.16412181       0.24492709 
          0.15975824       0.16884229       0.76900569 
          0.62295143       0.18983912       0.09003703 
          0.45139703       0.16642701       0.08602873 
          0.87800412       0.18651010       0.74283841 
          0.54495920       0.24523144       0.94267439 
          0.38634046       0.79548258       0.82414473 
  
  
     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 
  
 
 
  
      25.58   25.60
      28.48   28.49
   
        123.65170997 
      27206.76029462 
     -37696.97469143 
        185.00554397 
      10239.95902789 
      -9563.30171726 
          0.00134355 
       -449.27691456 
      12674.55391393 
       2720.37851069 
       2720.37716714 
       2720.37806284 
   
  
  
      31.90   31.91
      31.90   31.91
   
        682.53552903 
        682.53804534 
        682.53636780 
   
  
  
      34.30   34.31
      34.30   34.31
   
        292.60315207 
        292.59484159 
        292.60038191 
   
  
  
      32.31   32.32
      32.31   32.33
   
        265.60013474 
        265.56357274 
        265.58794741 
   
  
  
      33.03   33.07
      33.38   33.41
   
        264.43887897 
        264.39836343 
        264.42537379 
   
  
  
      35.06   35.09
      37.12   37.15
   
        278.34966329 
        278.35164485 
        278.35032381 
   
  
  
      38.90   38.95
      40.23   40.29
   
          3.48416928 
          3.47870432 
          3.48234763 
   
  
  
      35.65   35.68
      36.99   37.02
   
        216.70794833 
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        216.70665198 
   
  
  
      35.67   35.69
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        159.69320641 
        159.69522354 
        159.69387879 
   
  
  
      31.57   31.62
      32.88   32.93
   
        301.18827452 
        301.20492738 
        301.19382547 
   
  
  
      30.01   30.06
      31.47   31.52
   
        280.37204770 
        280.34557258 
        280.36322266 
   
  
  
      30.35   30.39
      31.70   31.74
   
        300.87211281 
        300.86314518 
        300.86912360 
   
  
  
      33.88   33.94
      35.24   35.30
   
        303.95450286 
        303.95950556 
        303.95617043 
   
  
  
      34.76   34.81
      36.14   36.20
   
        274.21864585 
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        274.22212967 
   
  
  
      31.08   31.14
      32.50   32.56
   
        190.87477485 
        190.87360912 
        190.87438627 
   
  
  
      27.77   27.83
      29.12   29.18
   
          8.75468074 
          8.76968091 
          8.75968080 
   
  
  
      35.51   35.58
      36.91   36.98
   
        -13.35488659 
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      28.08   28.13
      29.50   29.55
   
         32.66627072 
         32.67860516 
         32.67038220 
   
  
  
      29.96   30.00
      31.40   31.44
   
        112.42591371 
        112.41936123 
        112.42372955 
   
  
  
      28.77   28.81
      30.28   30.32
   
        108.35209971 
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        108.35180292 
   
  
  
      26.23   26.30
      27.60   27.67
   
        145.38991824 
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        145.38885250 
   
  
  
      25.82   25.87
      27.31   27.36
   
        176.25745405 
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        176.26024024 
   
  
  
      29.06   29.11
      30.61   30.66
   
        176.27342881 
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        176.27716160 
   
  
  
      29.21   29.27
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        168.74462722 
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        168.75127570 
   
  
  
      26.58   26.64
      28.15   28.22
   
        209.23027222 
        209.25432967 
        209.23829137 
   
  
  
      29.09   29.16
      30.98   31.05
   
        379.14677838 
        379.16410537 
        379.15255404