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 
    
   
   
           0.02144249       0.46290318       0.07317950 
           0.01822633       0.54420605       0.43052177 
           0.27547693       0.46392812       0.18783908 
           0.26822441       0.54071287       0.30774793 
           0.00816485       0.23931395       0.43096429 
           0.25816485       0.23931395       0.31597889 
           0.00816485       0.31223131       0.06158143 
           0.25816485       0.31223131       0.18536175 
           0.00816485       0.38873544       0.43519388 
           0.25816485       0.38873544       0.31174930 
           0.01446080       0.46735822       0.55657620 
           0.02173621       0.54211200       0.95844472 
           0.26037498       0.47059993       0.69033829 
           0.24303703       0.55186924       0.81571984 
           0.25816485       0.23931395       0.81597889 
           0.00816485       0.31223131       0.56158143 
           0.25816485       0.31223131       0.68536175 
           0.00816485       0.38873544       0.93519388 
           0.25816485       0.38873544       0.81174930 
           0.51720085       0.46903133       0.05193768 
           0.51926633       0.54313492       0.43132625 
           0.75973454       0.46440621       0.19124590 
           0.76805003       0.54195902       0.30627365 
           0.50816485       0.23931395       0.43096429 
           0.75816485       0.23931395       0.31597889 
           0.50816485       0.31223131       0.06158143 
           0.75816485       0.31223131       0.18536175 
           0.50816485       0.38873544       0.43519388 
           0.75816485       0.38873544       0.31174930 
           0.50904933       0.46705245       0.55942303 
           0.49267362       0.55502855       0.94005412 
           0.76345376       0.46679632       0.67949488 
           0.76019372       0.53257200       0.84232496 
           0.50816485       0.23931395       0.93096429 
           0.75816485       0.23931395       0.81597889 
           0.75816485       0.31223131       0.68536175 
           0.50816485       0.38873544       0.93519388 
           0.75816485       0.38873544       0.81174930 
           0.10109382       0.66927525       0.79145408 
           0.50718334       0.66570084       0.47714811 
           0.17673784       0.61235031       0.74414420 
           0.52313713       0.60424488       0.50633226 
           0.02897635       0.60276767       0.50954667 
           0.27467208       0.59939141       0.22218946 
           0.03589735       0.59514687       0.05535416 
           0.77343053       0.59454196       0.20727814 
           0.51383062       0.60671491       0.03829326 
           0.71464451       0.47770392       0.93315039 
           0.99215708       0.18572787       0.52862305 
           0.24534115       0.18593605       0.21689332 
           0.18854663       0.17943368       0.78654223 
           0.79376687       0.18515410       0.22600816 
           0.51635644       0.18690034       0.02871474 
           0.82424049       0.18291614       0.75073609 
           0.25961950       0.70329779       0.91953057 
           0.66640930       0.69827619       0.34813990 
           0.85134866       0.66715866       0.85687599 
           0.52519597       0.71040366       0.63062705 
           0.08005008       0.72114159       0.64551064 
           0.07185356       0.59998285       0.59512951 
           0.17713341       0.59992022       0.15696282 
           0.93012761       0.59776002       0.11194237 
           0.67372338       0.59862114       0.14815070 
           0.42105684       0.60768201       0.10316775 
           0.81561854       0.45256737       0.94242100 
           0.18844666       0.65755192       0.45850803 
           0.28597898       0.65029738       0.32247242 
           0.00333764       0.15148693       0.48857619 
           0.12598684       0.17864493       0.18909858 
           0.06212550       0.17486001       0.77105711 
           0.70895593       0.18055269       0.15820841 
           0.41548288       0.18364779       0.08565950 
           0.86101783       0.18494819       0.66215282 
           0.26085948       0.71220342       0.38441091 
           0.29017166       0.67356620       0.40558313 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
          23 
          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
          36 
          37 
          38 
          39 
          40 
          41 
          42 
          43 
          44 
          45 
          46 
          47 
          48 
          49 
          50 
          51 
          52 
          53 
          54 
          55 
          56 
          57 
          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 
   
  
  
          0.02144249       0.46290318       0.07317950 
          0.01822633       0.54420605       0.43052177 
          0.27547693       0.46392812       0.18783908 
          0.26822441       0.54071287       0.30774793 
          0.00816485       0.23931395       0.43096429 
          0.25816485       0.23931395       0.31597889 
          0.00816485       0.31223131       0.06158143 
          0.25816485       0.31223131       0.18536175 
          0.00816485       0.38873544       0.43519388 
          0.25816485       0.38873544       0.31174930 
          0.01446080       0.46735822       0.55657620 
          0.02173621       0.54211200       0.95844472 
          0.26037498       0.47059993       0.69033829 
          0.24303703       0.55186924       0.81571984 
          0.25816485       0.23931395       0.81597889 
          0.00816485       0.31223131       0.56158143 
          0.25816485       0.31223131       0.68536175 
          0.00816485       0.38873544       0.93519388 
          0.25816485       0.38873544       0.81174930 
          0.51720085       0.46903133       0.05193768 
          0.51926633       0.54313492       0.43132625 
          0.75973454       0.46440621       0.19124590 
          0.76805003       0.54195902       0.30627365 
          0.50816485       0.23931395       0.43096429 
          0.75816485       0.23931395       0.31597889 
          0.50816485       0.31223131       0.06158143 
          0.75816485       0.31223131       0.18536175 
          0.50816485       0.38873544       0.43519388 
          0.75816485       0.38873544       0.31174930 
          0.50904933       0.46705245       0.55942303 
          0.49267362       0.55502855       0.94005412 
          0.76345376       0.46679632       0.67949488 
          0.76019372       0.53257200       0.84232496 
          0.50816485       0.23931395       0.93096429 
          0.75816485       0.23931395       0.81597889 
          0.75816485       0.31223131       0.68536175 
          0.50816485       0.38873544       0.93519388 
          0.75816485       0.38873544       0.81174930 
          0.10109382       0.66927525       0.79145408 
          0.50718334       0.66570084       0.47714811 
          0.17673784       0.61235031       0.74414420 
          0.52313713       0.60424488       0.50633226 
          0.02897635       0.60276767       0.50954667 
          0.27467208       0.59939141       0.22218946 
          0.03589735       0.59514687       0.05535416 
          0.77343053       0.59454196       0.20727814 
          0.51383062       0.60671491       0.03829326 
          0.71464451       0.47770392       0.93315039 
          0.99215708       0.18572787       0.52862305 
          0.24534115       0.18593605       0.21689332 
          0.18854663       0.17943368       0.78654223 
          0.79376687       0.18515410       0.22600816 
          0.51635644       0.18690034       0.02871474 
          0.82424049       0.18291614       0.75073609 
          0.25961950       0.70329779       0.91953057 
          0.66640930       0.69827619       0.34813990 
          0.85134866       0.66715866       0.85687599 
          0.52519597       0.71040366       0.63062705 
          0.08005008       0.72114159       0.64551064 
          0.07185356       0.59998285       0.59512951 
          0.17713341       0.59992022       0.15696282 
          0.93012761       0.59776002       0.11194237 
          0.67372338       0.59862114       0.14815070 
          0.42105684       0.60768201       0.10316775 
          0.81561854       0.45256737       0.94242100 
          0.18844666       0.65755192       0.45850803 
          0.28597898       0.65029738       0.32247242 
          0.00333764       0.15148693       0.48857619 
          0.12598684       0.17864493       0.18909858 
          0.06212550       0.17486001       0.77105711 
          0.70895593       0.18055269       0.15820841 
          0.41548288       0.18364779       0.08565950 
          0.86101783       0.18494819       0.66215282 
          0.26085948       0.71220342       0.38441091 
          0.29017166       0.67356620       0.40558313 
  
  
     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 
  
 
 
  
      25.19   25.20
      27.69   27.70
   
        123.65170997 
      23548.18381756 
     -35027.45771036 
        173.90500804 
      10239.95902789 
      -9563.30171726 
         -0.00898811 
       -365.01825093 
      12674.55391393 
       1804.46681072 
       1804.47579883 
       1804.46980676 
   
  
  
      30.50   30.51
      30.50   30.51
   
       -118.76444227 
       -118.81139516 
       -118.78009323 
   
  
  
      27.47   27.48
      27.47   27.49
   
       -408.88115261 
       -408.92770304 
       -408.89666942 
   
  
  
      28.78   28.83
      28.78   28.83
   
       -421.93404165 
       -421.98309053 
       -421.95039128 
   
  
  
      30.17   30.23
      30.46   30.53
   
       -422.40928692 
       -422.45850026 
       -422.42569136 
   
  
  
      28.93   28.96
      30.28   30.30
   
       -396.95297126 
       -397.01645564 
       -396.97413272 
   
  
  
      26.58   26.63
      27.90   27.94
   
       -396.69237155 
       -396.75933949 
       -396.71469419 
   
  
  
      30.07   30.12
      31.46   31.51
   
       -396.06148558 
       -396.12461465 
       -396.08252860 
   
  
  
      28.31   28.35
      29.66   29.71
   
       -395.91707054 
       -395.97541147 
       -395.93651751 
   
  
  
      28.39   28.43
      29.76   29.80
   
       -395.91918732 
       -395.97510640 
       -395.93782701 
   
  
  
      28.08   28.13
      29.45   29.51
   
       -395.91644049 
       -395.97156779 
       -395.93481625 
   
  
  
      29.77   29.82
      31.23   31.29
   
       -395.91082406 
       -395.96546263 
       -395.92903692 
   
  
  
      28.14   28.17
      29.66   29.69
   
       -395.90796100 
       -395.96167952 
       -395.92586718 
   
  
  
      29.07   29.10
      30.77   30.80
   
       -395.90817617 
       -395.96154246 
       -395.92596493 
   
  
  
      27.90   27.96
      29.51   29.58
   
       -395.90859376 
       -395.96200146 
       -395.92639633 
   
  
  
      27.56   27.65
      29.12   29.20
   
       -395.90925276 
       -395.96248440 
       -395.92699664 
   
  
  
      27.51   27.55
      28.99   29.04
   
       -395.91068367 
       -395.96403840 
       -395.92846858 
   
  
  
      27.67   27.72
      29.30   29.36
   
       -395.91148445 
       -395.96492760 
       -395.92929883 
   
  
  
      27.15   27.21
      29.00   29.06
   
       -395.91238914 
       -395.96605242 
       -395.93027690 
   
  
  
      27.43   27.47
      29.27   29.32
   
       -395.91355052 
       -395.96762705 
       -395.93157603 
   
  
  
      27.96   28.03
      30.05   30.11
   
       -395.91417346 
       -395.96868534 
       -395.93234408 
   
  
  
      27.33   27.39
      29.35   29.41
   
       -395.91442905 
       -395.96947625 
       -395.93277811 
   
  
  
      27.87   27.94
      29.60   29.66
   
       -395.91448943 
       -395.96995662 
       -395.93297849