vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 18 
  19:47:31 
 
 
  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 
    
   
   
           0.01872303       0.46127660       0.07494419 
           0.00674819       0.54254730       0.43393755 
           0.27031762       0.46365107       0.19465782 
           0.26090797       0.54224466       0.31247790 
           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 
           0.01030502       0.46473461       0.55537066 
           0.01649891       0.54039774       0.95571437 
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           0.23949920       0.55134860       0.81337305 
           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 
           0.50959793       0.46722247       0.05336452 
           0.51373272       0.54492015       0.43457816 
           0.75299357       0.46267587       0.19195791 
           0.76016166       0.54040481       0.30650980 
           0.50181441       0.23760172       0.43215305 
           0.75181441       0.23760172       0.31716765 
           0.50181441       0.31051908       0.06277019 
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           0.50181441       0.38702321       0.43638264 
           0.75181441       0.38702321       0.31293806 
           0.50417181       0.46622424       0.55920848 
           0.48709072       0.55280827       0.94034175 
           0.75989780       0.46445850       0.67932206 
           0.75409721       0.52961085       0.84276718 
           0.50181441       0.23760172       0.93215305 
           0.75181441       0.23760172       0.81716765 
           0.75181441       0.31051908       0.68655051 
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           0.75181441       0.38702321       0.81293806 
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           0.52215224       0.66628549       0.48306517 
           0.18799308       0.61010127       0.74212171 
           0.52340613       0.60213684       0.51251494 
           0.97983181       0.59275345       0.53054705 
           0.27289624       0.59515003       0.21619875 
           0.02785553       0.59144020       0.05480472 
           0.76786848       0.59049849       0.20316113 
           0.50978630       0.60356996       0.03855471 
           0.70800904       0.47386367       0.93235183 
           0.98570829       0.18391476       0.52931841 
           0.24763240       0.18372584       0.22034364 
           0.18132465       0.17773681       0.79070552 
           0.77963845       0.18273246       0.22981616 
           0.51217910       0.18514317       0.02952598 
           0.81978056       0.18131203       0.75294292 
           0.25728563       0.69965496       0.92234501 
           0.74192293       0.68795969       0.38643404 
           0.85746461       0.65967272       0.85002141 
           0.53871282       0.70580095       0.64709044 
           0.08728608       0.71816235       0.64299666 
           0.07792722       0.60280323       0.58382993 
           0.17212042       0.59668355       0.15468818 
           0.92193324       0.59475212       0.11166987 
           0.66632643       0.59667482       0.14631978 
           0.41605008       0.60542314       0.10383827 
           0.81269776       0.45145988       0.95068520 
           0.30512102       0.72194012       0.39460102 
           0.30188453       0.66053421       0.33198872 
           0.99601370       0.14938639       0.49042616 
           0.13010726       0.17271433       0.19610172 
           0.05520472       0.17260261       0.77474851 
           0.69677875       0.17845561       0.16058544 
           0.41160830       0.18109898       0.08629524 
           0.85649322       0.18305912       0.66429519 
           0.31941868       0.77539127       0.33221308 
           0.33142026       0.68165489       0.41023596 
   
  
  
           1 
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          49 
          50 
          51 
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          54 
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          58 
          59 
          60 
          61 
          62 
          63 
          64 
          65 
          66 
          67 
          68 
          69 
          70 
          71 
          72 
          73 
          74 
          75 
  
 
 
  
          2        1        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       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 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.50000000       0.00000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   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  
   
   
       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
  
  
        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
      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 
   
  
  
          0.01872303       0.46127660       0.07494419 
          0.00674819       0.54254730       0.43393755 
          0.27031762       0.46365107       0.19465782 
          0.26090797       0.54224466       0.31247790 
          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 
          0.01030502       0.46473461       0.55537066 
          0.01649891       0.54039774       0.95571437 
          0.25500558       0.46869134       0.69076218 
          0.23949920       0.55134860       0.81337305 
          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 
          0.50959793       0.46722247       0.05336452 
          0.51373272       0.54492015       0.43457816 
          0.75299357       0.46267587       0.19195791 
          0.76016166       0.54040481       0.30650980 
          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 
          0.50417181       0.46622424       0.55920848 
          0.48709072       0.55280827       0.94034175 
          0.75989780       0.46445850       0.67932206 
          0.75409721       0.52961085       0.84276718 
          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 
          0.10801692       0.66789408       0.78647226 
          0.52215224       0.66628549       0.48306517 
          0.18799308       0.61010127       0.74212171 
          0.52340613       0.60213684       0.51251494 
          0.97983181       0.59275345       0.53054705 
          0.27289624       0.59515003       0.21619875 
          0.02785553       0.59144020       0.05480472 
          0.76786848       0.59049849       0.20316113 
          0.50978630       0.60356996       0.03855471 
          0.70800904       0.47386367       0.93235183 
          0.98570829       0.18391476       0.52931841 
          0.24763240       0.18372584       0.22034364 
          0.18132465       0.17773681       0.79070552 
          0.77963845       0.18273246       0.22981616 
          0.51217910       0.18514317       0.02952598 
          0.81978056       0.18131203       0.75294292 
          0.25728563       0.69965496       0.92234501 
          0.74192293       0.68795969       0.38643404 
          0.85746461       0.65967272       0.85002141 
          0.53871282       0.70580095       0.64709044 
          0.08728608       0.71816235       0.64299666 
          0.07792722       0.60280323       0.58382993 
          0.17212042       0.59668355       0.15468818 
          0.92193324       0.59475212       0.11166987 
          0.66632643       0.59667482       0.14631978 
          0.41605008       0.60542314       0.10383827 
          0.81269776       0.45145988       0.95068520 
          0.30512102       0.72194012       0.39460102 
          0.30188453       0.66053421       0.33198872 
          0.99601370       0.14938639       0.49042616 
          0.13010726       0.17271433       0.19610172 
          0.05520472       0.17260261       0.77474851 
          0.69677875       0.17845561       0.16058544 
          0.41160830       0.18109898       0.08629524 
          0.85649322       0.18305912       0.66429519 
          0.31941868       0.77539127       0.33221308 
          0.33142026       0.68165489       0.41023596 
  
  
     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 
  
 
 
  
      24.36   24.38
      25.61   25.62
   
        123.65170997 
      23449.67412111 
     -34930.91927867 
        173.10088344 
      10239.95902789 
      -9563.30171726 
          0.01186959 
       -366.51225274 
      12674.55391393 
       1800.21827727 
       1800.20640768 
       1800.21432074 
   
  
  
      30.66   30.68
      30.66   30.69
   
       -114.77794791 
       -114.76254485 
       -114.77281355 
   
  
  
      27.47   27.49
      27.47   27.49
   
       -407.10801636 
       -407.06069738 
       -407.09224337 
   
  
  
      29.03   29.06
      29.04   29.06
   
       -420.09182197 
       -420.03787428 
       -420.07383941 
   
  
  
      30.17   30.20
      30.42   30.45
   
       -420.55660403 
       -420.50252811 
       -420.53857872 
   
  
  
      29.45   29.51
      30.88   30.94
   
       -395.71068662 
       -395.77390996 
       -395.73176107 
   
  
  
      26.97   27.01
      28.53   28.57
   
       -395.11677958 
       -395.06935564 
       -395.10097160 
   
  
  
      28.31   28.36
      29.95   30.00
   
       -394.21820373 
       -394.26208471 
       -394.23283073 
   
  
  
      29.05   29.10
      30.44   30.48
   
       -393.91911663 
       -393.87556567 
       -393.90459964 
   
  
  
      28.46   28.49
      29.95   29.99
   
       -393.05366846 
       -393.06686779 
       -393.05806823 
   
  
  
      27.51   27.56
      29.04   29.10
   
       -393.21956366 
       -393.17261542 
       -393.20391425 
   
  
  
      28.45   28.52
      29.89   29.96
   
       -393.00035620 
       -392.94523963 
       -392.98198401 
   
  
  
      30.41   30.46
      31.88   31.93
   
       -393.09096690 
       -393.12103229 
       -393.10098869 
   
  
  
      28.78   28.83
      30.27   30.33
   
       -392.97228956 
       -392.91116483 
       -392.95191465 
   
  
  
      27.59   27.64
      29.22   29.28
   
       -392.98165939 
       -392.91475842 
       -392.95935907 
   
  
  
      28.86   28.91
      30.24   30.29
   
       -392.93340821 
       -392.84350088 
       -392.90343910 
   
  
  
      27.79   27.86
      29.64   29.70
   
       -392.92422830 
       -392.83366972 
       -392.89404211 
   
  
  
      27.12   27.17
      29.26   29.32
   
       -392.93025255 
       -392.83687327 
       -392.89912613 
   
  
  
      27.06   27.14
      28.79   28.87
   
       -392.92858386 
       -392.83618324 
       -392.89778365 
   
  
  
      27.66   27.73
      29.37   29.44
   
       -392.92951358 
       -392.83770430 
       -392.89891049 
   
  
  
      26.66   26.72
      28.10   28.16
   
       -392.92988638 
       -392.83687264 
       -392.89888180 
   
  
  
      26.74   26.79
      28.27   28.32
   
       -392.92651037 
       -392.83008042 
       -392.89436705 
   
  
  
      27.69   27.78
      29.19   29.27
   
       -392.92523264 
       -392.82750248 
       -392.89265592