vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 13 
  16:13:09 
 
 
  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 
    
   
   
           0.35504893       0.51211354       0.31990287 
           0.81700860       0.71178632       0.41992663 
           0.89821204       0.47897557       0.34246808 
           0.74919227       0.69372997       0.44314343 
           0.00362882       0.23809093       0.43181341 
           0.25362882       0.23809093       0.31682801 
           0.00362882       0.31100829       0.06243055 
           0.25362882       0.31100829       0.18621087 
           0.00362882       0.38751242       0.43604300 
           0.25362882       0.38751242       0.31259842 
           0.18734638       0.58373484       0.38898847 
           0.02505077       0.60560912       0.09549127 
           0.22929983       0.53897049       0.64221818 
           0.07929378       0.64285385       0.69389068 
           0.25362882       0.23809093       0.81682801 
           0.00362882       0.31100829       0.56243055 
           0.25362882       0.31100829       0.68621087 
           0.00362882       0.38751242       0.93604300 
           0.25362882       0.38751242       0.81259842 
           0.86345319       0.57310235       0.83739971 
           0.54134534       0.22593520       0.53289627 
           0.88904287       0.44938398       0.06194837 
           0.11958821       0.49068734       0.21960704 
           0.50362882       0.23809093       0.43181341 
           0.75362882       0.23809093       0.31682801 
           0.50362882       0.31100829       0.06243055 
           0.75362882       0.31100829       0.18621087 
           0.50362882       0.38751242       0.43604300 
           0.75362882       0.38751242       0.31259842 
           0.67373152       0.48356970       0.82667933 
           0.50041003       0.68218181       0.86011240 
           0.01972889       0.56299450       0.64389910 
           0.75698296       0.64148834       0.73178370 
           0.50362882       0.23809093       0.93181341 
           0.75362882       0.23809093       0.81682801 
           0.75362882       0.31100829       0.68621087 
           0.50362882       0.38751242       0.93604300 
           0.75362882       0.38751242       0.81259842 
           0.96701617       0.77793448       0.69271017 
           0.80740536       0.86652032       0.05672768 
           0.99989879       0.61963898       0.50439916 
           0.59401771       0.94294915       0.63686679 
           0.07337499       0.76678506       0.36323792 
           0.76187805       0.31868707       0.18722090 
           0.92562103       0.66804488       0.91733493 
           0.12091640       0.42446068       0.70985083 
           0.74464931       0.66551186       0.02566107 
           0.90324769       0.53612510       0.98892814 
           0.19764749       0.22100651       0.48139398 
           0.61340471       0.28871915       0.10232766 
           0.30301044       0.17481354       0.98427835 
           0.64902746       0.25275572       0.19881262 
           0.95489658       0.30831833       0.10355342 
           0.04028802       0.21078114       0.78269057 
           0.30520168       0.69059411       0.82753062 
           0.65177504       0.15834456       0.74376020 
           0.79261562       0.72261023       0.79323275 
           0.41156131       0.21625724       0.27072341 
           0.39735480       0.90354964       0.74853400 
           0.32952305       0.64941287       0.87894799 
           0.43824453       0.40527441       0.76904487 
           0.80426420       0.62760591       0.02672248 
           0.87834372       0.67973015       0.18676028 
           0.60863633       0.60203992       0.94671931 
           0.79651378       0.51436963       0.93686585 
           0.52619348       0.73053376       0.76963420 
           0.10938649       0.42463364       0.87182528 
           0.26973349       0.15343254       0.50298271 
           0.41407551       0.19922160       0.25760870 
           0.27682080       0.19522971       0.69523657 
           0.65022773       0.21538903       0.98405643 
           0.60183703       0.17192089       0.04171439 
           0.05643261       0.22634551       0.72040999 
           0.75554611       0.63571624       0.62502210 
           0.40994999       0.18693113       0.52490755 
   
  
  
           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
      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 
   
  
  
          0.35504893       0.51211354       0.31990287 
          0.81700860       0.71178632       0.41992663 
          0.89821204       0.47897557       0.34246808 
          0.74919227       0.69372997       0.44314343 
          0.00362882       0.23809093       0.43181341 
          0.25362882       0.23809093       0.31682801 
          0.00362882       0.31100829       0.06243055 
          0.25362882       0.31100829       0.18621087 
          0.00362882       0.38751242       0.43604300 
          0.25362882       0.38751242       0.31259842 
          0.18734638       0.58373484       0.38898847 
          0.02505077       0.60560912       0.09549127 
          0.22929983       0.53897049       0.64221818 
          0.07929378       0.64285385       0.69389068 
          0.25362882       0.23809093       0.81682801 
          0.00362882       0.31100829       0.56243055 
          0.25362882       0.31100829       0.68621087 
          0.00362882       0.38751242       0.93604300 
          0.25362882       0.38751242       0.81259842 
          0.86345319       0.57310235       0.83739971 
          0.54134534       0.22593520       0.53289627 
          0.88904287       0.44938398       0.06194837 
          0.11958821       0.49068734       0.21960704 
          0.50362882       0.23809093       0.43181341 
          0.75362882       0.23809093       0.31682801 
          0.50362882       0.31100829       0.06243055 
          0.75362882       0.31100829       0.18621087 
          0.50362882       0.38751242       0.43604300 
          0.75362882       0.38751242       0.31259842 
          0.67373152       0.48356970       0.82667933 
          0.50041003       0.68218181       0.86011240 
          0.01972889       0.56299450       0.64389910 
          0.75698296       0.64148834       0.73178370 
          0.50362882       0.23809093       0.93181341 
          0.75362882       0.23809093       0.81682801 
          0.75362882       0.31100829       0.68621087 
          0.50362882       0.38751242       0.93604300 
          0.75362882       0.38751242       0.81259842 
          0.96701617       0.77793448       0.69271017 
          0.80740536       0.86652032       0.05672768 
          0.99989879       0.61963898       0.50439916 
          0.59401771       0.94294915       0.63686679 
          0.07337499       0.76678506       0.36323792 
          0.76187805       0.31868707       0.18722090 
          0.92562103       0.66804488       0.91733493 
          0.12091640       0.42446068       0.70985083 
          0.74464931       0.66551186       0.02566107 
          0.90324769       0.53612510       0.98892814 
          0.19764749       0.22100651       0.48139398 
          0.61340471       0.28871915       0.10232766 
          0.30301044       0.17481354       0.98427835 
          0.64902746       0.25275572       0.19881262 
          0.95489658       0.30831833       0.10355342 
          0.04028802       0.21078114       0.78269057 
          0.30520168       0.69059411       0.82753062 
          0.65177504       0.15834456       0.74376020 
          0.79261562       0.72261023       0.79323275 
          0.41156131       0.21625724       0.27072341 
          0.39735480       0.90354964       0.74853400 
          0.32952305       0.64941287       0.87894799 
          0.43824453       0.40527441       0.76904487 
          0.80426420       0.62760591       0.02672248 
          0.87834372       0.67973015       0.18676028 
          0.60863633       0.60203992       0.94671931 
          0.79651378       0.51436963       0.93686585 
          0.52619348       0.73053376       0.76963420 
          0.10938649       0.42463364       0.87182528 
          0.26973349       0.15343254       0.50298271 
          0.41407551       0.19922160       0.25760870 
          0.27682080       0.19522971       0.69523657 
          0.65022773       0.21538903       0.98405643 
          0.60183703       0.17192089       0.04171439 
          0.05643261       0.22634551       0.72040999 
          0.75554611       0.63571624       0.62502210 
          0.40994999       0.18693113       0.52490755 
  
  
     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 
  
 
 
  
      26.15   26.17
      29.29   29.31
   
        123.65170997 
      16329.85349459 
     -25752.46933865 
        166.44444091 
      10239.95902789 
      -9563.30171726 
          0.00973358 
       -543.25168149 
      12674.55391393 
       3675.44958348 
       3675.43984990 
       3675.44633895 
   
  
  
      32.13   32.15
      32.14   32.15
   
       1567.13833817 
       1567.12643055 
       1567.13436897 
   
  
  
      31.64   31.66
      31.65   31.66
   
       1208.73039509 
       1208.74509026 
       1208.73529348 
   
  
  
      33.32   33.33
      33.32   33.34
   
       1188.31864152 
       1188.31384940 
       1188.31704415 
   
  
  
      33.15   33.16
      33.42   33.43
   
       1187.60277436 
       1187.60049198 
       1187.60201357 
   
  
  
      31.92   31.96
      33.36   33.40
   
       1266.15173802 
       1266.16020833 
       1266.15456146 
   
  
  
      37.76   37.79
      39.28   39.32
   
        704.27973276 
        704.27412979 
        704.27786510 
   
  
  
      41.52   41.55
      42.89   42.92
   
       -455.31303632 
       -455.32340776 
       -455.31649347 
   
  
  
      30.51   30.58
      32.02   32.09
   
          3.17164341 
          3.19427843 
          3.17918841 
   
  
  
      34.94   35.00
      36.49   36.54
   
       1148.02675330 
       1148.03171990 
       1148.02840883 
   
  
  
      36.82   36.88
      38.21   38.28
   
       1300.67832659 
       1300.70003078 
       1300.68556132 
   
  
  
      36.34   36.37
      37.71   37.75
   
       1200.52098787 
       1200.51615020 
       1200.51937532 
   
  
  
      32.11   32.15
      33.45   33.49
   
       1250.40583464 
       1250.41327137 
       1250.40831355 
   
  
  
      30.49   30.54
      31.81   31.86
   
       1244.08916735 
       1243.97773896 
       1244.05202455 
   
  
  
      29.77   29.84
      31.20   31.27
   
       1242.33399220 
       1242.28405215 
       1242.31734552 
   
  
  
      31.98   32.01
      33.50   33.52
   
       1238.20794435 
       1238.18480617 
       1238.20023163 
   
  
  
      30.90   30.94
      32.37   32.42
   
       1248.49351213 
       1248.57141499 
       1248.51947975 
   
  
  
      27.79   27.83
      29.38   29.42
   
       1265.21517937 
       1265.23963512 
       1265.22333128 
   
  
  
      33.92   33.97
      35.42   35.46
   
       1261.03051431 
       1260.99807131 
       1261.01969997 
   
  
  
      27.99   28.09
      29.38   29.48
   
       1296.72180726 
       1296.78777035 
       1296.74379496 
   
  
  
      30.96   31.03
      32.38   32.44
   
       1295.73233997 
       1295.76083478 
       1295.74183824 
   
  
  
      28.98   29.02
      30.33   30.37
   
       1294.90179306 
       1294.91839628 
       1294.90732747 
   
  
  
      31.07   31.10
      32.54   32.57
   
       1294.89733478 
       1294.93008693 
       1294.90825216 
   
  
  
      29.98   30.03
      31.46   31.52
   
       1296.16197676 
       1296.11602378 
       1296.14665910 
   
  
  
      30.35   30.40
      31.82   31.87
   
       1297.60983357 
       1297.65097508 
       1297.62354741 
   
  
  
      28.48   28.52
      29.89   29.94
   
       1317.84363909 
       1317.83671615 
       1317.84133144 
   
  
  
      24.67   24.71
      26.03   26.07
   
       1336.85413721 
       1336.83556721 
       1336.84794721 
   
  
  
      25.10   25.15
      26.53   26.58
   
       1336.14549523 
       1336.12181733 
       1336.13760260 
   
  
  
      25.77   25.81
      27.30   27.34
   
       1338.75811192 
       1338.76858302 
       1338.76160228 
   
  
  
      24.49   24.53
      26.00   26.04
   
       1335.95434837 
       1335.96581958 
       1335.95817211 
   
  
  
      26.29   26.33
      27.86   27.89
   
       1336.79464137 
       1336.80752283 
       1336.79893519 
   
  
  
      24.96   25.02
      26.55   26.61
   
       1335.26302763 
       1335.25481321 
       1335.26028949 
   
  
  
      24.86   24.93
      26.55   26.62
   
       1336.39574279 
       1336.37955066 
       1336.39034541 
   
  
  
      25.20   25.27
      27.15   27.22
   
       1340.45455721 
       1340.42281182 
       1340.44397541 
   
  
  
      29.67   29.72
      31.13   31.19
   
      -1965.08392511 
      -1965.07598501 
      -1965.08127841 
   
  
  
      26.80   26.87
      28.51   28.58
   
       -224.86452553 
       -224.86023001 
       -224.86309369 
   
  
  
      27.05   27.09
      29.34   29.38
   
       1359.20509814 
       1359.21190659 
       1359.20736762 
   
  
  
      25.85   25.90
      28.00   28.05
   
       1333.22547908 
       1333.22899031 
       1333.22664949