vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 16 
  20:06:13 
 
 
  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 
    
   
   
           0.02236161       0.46289540       0.07268953 
           0.01850802       0.54417978       0.43168621 
           0.27615941       0.46414231       0.18767550 
           0.26766378       0.54099958       0.30827220 
           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 
           0.01538649       0.46707539       0.55701483 
           0.02168555       0.54211730       0.95809688 
           0.26044582       0.47045470       0.69115746 
           0.24311787       0.55169138       0.81589483 
           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 
           0.51747922       0.46901724       0.05113183 
           0.51883488       0.54334315       0.43134769 
           0.75994648       0.46424722       0.19063688 
           0.76934420       0.54173120       0.30662609 
           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 
           0.50904264       0.46692751       0.56012839 
           0.49247730       0.55492002       0.94054694 
           0.76435542       0.46653440       0.67962011 
           0.76002492       0.53257859       0.84197122 
           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 
           0.10203985       0.66892181       0.79187088 
           0.50579309       0.66667503       0.47582682 
           0.17931729       0.61211410       0.74391190 
           0.51565353       0.60435668       0.50433123 
           0.02792243       0.60250867       0.51214495 
           0.27345109       0.59972141       0.22353062 
           0.03631167       0.59493219       0.05482177 
           0.77481756       0.59440897       0.20782291 
           0.51435077       0.60656684       0.03892625 
           0.71476048       0.47788996       0.93350844 
           0.99223246       0.18574880       0.52824383 
           0.24647317       0.18587642       0.21723168 
           0.18875819       0.17935714       0.78750811 
           0.79184383       0.18508461       0.22612222 
           0.51725730       0.18709273       0.02928938 
           0.82349545       0.18269794       0.75118105 
           0.26020612       0.70300465       0.92004862 
           0.66613732       0.69855636       0.34523301 
           0.85176159       0.66675856       0.85691044 
           0.52541870       0.71037350       0.63129813 
           0.08010009       0.72125353       0.64684410 
           0.06909068       0.59800595       0.59603756 
           0.17811978       0.59921871       0.15678481 
           0.93113018       0.59723858       0.11204821 
           0.67513636       0.59835106       0.14852505 
           0.42198233       0.60744723       0.10395536 
           0.81461761       0.45229762       0.94255953 
           0.18137465       0.66029698       0.46042202 
           0.28358761       0.65447646       0.32010398 
           0.00372118       0.15146089       0.48837474 
           0.12728393       0.17816550       0.18985896 
           0.06243505       0.17494990       0.77135043 
           0.70732167       0.18060928       0.15796935 
           0.41573180       0.18351826       0.08556768 
           0.86069940       0.18486116       0.66278444 
           0.25886244       0.71261230       0.38765172 
           0.28629600       0.66796437       0.41069193 
   
  
  
           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 
  
 
 
  
          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 
   
  
  
          0.02236161       0.46289540       0.07268953 
          0.01850802       0.54417978       0.43168621 
          0.27615941       0.46414231       0.18767550 
          0.26766378       0.54099958       0.30827220 
          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 
          0.01538649       0.46707539       0.55701483 
          0.02168555       0.54211730       0.95809688 
          0.26044582       0.47045470       0.69115746 
          0.24311787       0.55169138       0.81589483 
          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 
          0.51747922       0.46901724       0.05113183 
          0.51883488       0.54334315       0.43134769 
          0.75994648       0.46424722       0.19063688 
          0.76934420       0.54173120       0.30662609 
          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 
          0.50904264       0.46692751       0.56012839 
          0.49247730       0.55492002       0.94054694 
          0.76435542       0.46653440       0.67962011 
          0.76002492       0.53257859       0.84197122 
          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 
          0.10203985       0.66892181       0.79187088 
          0.50579309       0.66667503       0.47582682 
          0.17931729       0.61211410       0.74391190 
          0.51565353       0.60435668       0.50433123 
          0.02792243       0.60250867       0.51214495 
          0.27345109       0.59972141       0.22353062 
          0.03631167       0.59493219       0.05482177 
          0.77481756       0.59440897       0.20782291 
          0.51435077       0.60656684       0.03892625 
          0.71476048       0.47788996       0.93350844 
          0.99223246       0.18574880       0.52824383 
          0.24647317       0.18587642       0.21723168 
          0.18875819       0.17935714       0.78750811 
          0.79184383       0.18508461       0.22612222 
          0.51725730       0.18709273       0.02928938 
          0.82349545       0.18269794       0.75118105 
          0.26020612       0.70300465       0.92004862 
          0.66613732       0.69855636       0.34523301 
          0.85176159       0.66675856       0.85691044 
          0.52541870       0.71037350       0.63129813 
          0.08010009       0.72125353       0.64684410 
          0.06909068       0.59800595       0.59603756 
          0.17811978       0.59921871       0.15678481 
          0.93113018       0.59723858       0.11204821 
          0.67513636       0.59835106       0.14852505 
          0.42198233       0.60744723       0.10395536 
          0.81461761       0.45229762       0.94255953 
          0.18137465       0.66029698       0.46042202 
          0.28358761       0.65447646       0.32010398 
          0.00372118       0.15146089       0.48837474 
          0.12728393       0.17816550       0.18985896 
          0.06243505       0.17494990       0.77135043 
          0.70732167       0.18060928       0.15796935 
          0.41573180       0.18351826       0.08556768 
          0.86069940       0.18486116       0.66278444 
          0.25886244       0.71261230       0.38765172 
          0.28629600       0.66796437       0.41069193 
  
  
     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 
  
 
 
  
      41.82   42.02
      42.73   42.93
   
        123.65170997 
      23611.98101042 
     -35091.23337622 
        173.87603520 
      10239.95902789 
      -9563.30171726 
          0.00398191 
       -336.67023686 
      12674.55391393 
       1832.82034899 
       1832.81636708 
       1832.81902169 
   
  
  
      50.96   50.96
      50.97   50.96
   
       -112.63743083 
       -112.64607233 
       -112.64031133 
   
  
  
      45.03   45.02
      45.03   45.03
   
       -407.62138008 
       -407.62265716 
       -407.62180577 
   
  
  
      48.97   48.97
      48.98   48.97
   
       -421.71662980 
       -421.71930333 
       -421.71752098 
   
  
  
      48.49   48.49
      48.94   48.94
   
       -422.21331740 
       -422.21607312 
       -422.21423597 
   
  
  
      49.56   49.56
      50.89   50.88
   
       -396.58709600 
       -396.59017115 
       -396.58812105 
   
  
  
      44.92   44.92
      46.25   46.25
   
       -396.34248193 
       -396.35520032 
       -396.34672139 
   
  
  
      50.14   50.14
      51.55   51.55
   
       -395.68068363 
       -395.69672792 
       -395.68603173 
   
  
  
      47.02   47.01
      48.35   48.34
   
       -395.52590362 
       -395.54680522 
       -395.53287082 
   
  
  
      47.27   47.27
      48.63   48.62
   
       -395.52354028 
       -395.54306136 
       -395.53004731 
   
  
  
      46.40   46.40
      47.72   47.71
   
       -395.51915999 
       -395.53951463 
       -395.52594487 
   
  
  
      47.86   47.85
      49.21   49.20
   
       -395.51332100 
       -395.53339872 
       -395.52001357 
   
  
  
      47.34   47.34
      48.71   48.70
   
       -395.50844186 
       -395.52921476 
       -395.51536616 
   
  
  
      47.42   47.42
      48.76   48.76
   
       -395.50782877 
       -395.52840713 
       -395.51468822 
   
  
  
      46.76   46.76
      48.14   48.13
   
       -395.50789968 
       -395.52857284 
       -395.51479074 
   
  
  
      49.08   49.07
      50.45   50.44
   
       -395.50835298 
       -395.52899401 
       -395.51523332 
   
  
  
      49.71   49.71
      51.35   51.35
   
       -395.50912983 
       -395.52983487 
       -395.51603151 
   
  
  
      49.67   49.67
      51.09   51.08
   
       -395.50996372 
       -395.53069741 
       -395.51687495 
   
  
  
      46.86   46.85
      48.22   48.21
   
       -395.51052974 
       -395.53124035 
       -395.51743328 
   
  
  
      46.92   46.91
      48.32   48.31
   
       -395.51112519 
       -395.53185470 
       -395.51803502 
   
  
  
      45.90   45.89
      47.40   47.40
   
       -395.51160684 
       -395.53232679 
       -395.51851349 
   
  
  
      45.39   45.38
      46.73   46.72
   
       -395.51218498 
       -395.53290209 
       -395.51909068 
   
  
  
      36.24   36.24
      37.81   37.80
   
       -395.51250908 
       -395.53323042 
       -395.51941619 
   
  
  
      43.99   43.99
      45.31   45.31
   
       -395.51291343 
       -395.53362997 
       -395.51981895 
   
  
  
      34.44   34.44
      35.86   35.85
   
       -395.51305857 
       -395.53377418 
       -395.51996378 
   
  
  
      37.72   37.71
      39.07   39.07
   
       -395.51320533 
       -395.53391975 
       -395.52011014 
   
  
  
      31.30   31.29
      32.67   32.67
   
       -395.51328530 
       -395.53399728 
       -395.52018929 
   
  
  
      32.24   32.23
      33.61   33.60
   
       -395.51336318 
       -395.53407501 
       -395.52026712 
   
  
  
      31.27   31.27
      32.59   32.59
   
       -395.51339376 
       -395.53410498 
       -395.52029750 
   
  
  
      25.86   25.85
      26.80   26.79
   
        123.65170997 
      23611.98101042 
     -35676.98415547 
        207.51197944 
      29501.58491308 
     -28833.19797575 
          0.02071184 
      -2004.63549406 
      12674.55391393 
       -395.51338661 
       -395.53409845 
       -395.52029056