vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 18 
  19:47:33 
 
 
  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 
    
   
   
           0.02072927       0.46164723       0.07495984 
           0.00893832       0.54321823       0.43288832 
           0.27233273       0.46435113       0.19471198 
           0.26327520       0.54310040       0.31243490 
           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 
           0.01213960       0.46540995       0.55490812 
           0.01791882       0.54057411       0.95528588 
           0.25690458       0.46909658       0.68998287 
           0.24090279       0.55153553       0.81325410 
           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 
           0.51055775       0.46760719       0.05368075 
           0.51741375       0.54445342       0.43444071 
           0.75513261       0.46288612       0.19056663 
           0.76259464       0.54032324       0.30548292 
           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 
           0.50632061       0.46620391       0.55943514 
           0.48904715       0.55326604       0.93983609 
           0.76198921       0.46483814       0.67877959 
           0.75560987       0.52998074       0.84188224 
           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 
           0.10576541       0.66801267       0.78765199 
           0.51812129       0.66449821       0.48242795 
           0.18549044       0.61069396       0.74192513 
           0.53658895       0.60083980       0.51587911 
           0.98427660       0.59449150       0.52744299 
           0.27407524       0.59550865       0.21418073 
           0.02905821       0.59223792       0.05308245 
           0.76987517       0.59080746       0.20268265 
           0.51144785       0.60418114       0.03783699 
           0.71016495       0.47447271       0.93184867 
           0.98784225       0.18437263       0.52898816 
           0.24897445       0.18409585       0.22020406 
           0.18365902       0.17818411       0.78970740 
           0.78104024       0.18323979       0.22927577 
           0.51386886       0.18558688       0.02923079 
           0.82171403       0.18179811       0.75252910 
           0.25774197       0.70050037       0.92101823 
           0.72845319       0.68855681       0.37748275 
           0.85541875       0.66141574       0.85103069 
           0.53003334       0.70609647       0.64420323 
           0.08193975       0.71969174       0.64465332 
           0.07713381       0.60102959       0.58788961 
           0.17365906       0.59644645       0.15231983 
           0.92372852       0.59519479       0.11072294 
           0.66859822       0.59684027       0.14568495 
           0.41781578       0.60547814       0.10340656 
           0.81472649       0.45197484       0.94964400 
           0.22940712       0.69634296       0.45037172 
           0.29743480       0.66115579       0.32589478 
           0.99828946       0.14990785       0.48983458 
           0.13131824       0.17378180       0.19460630 
           0.05749025       0.17309530       0.77399847 
           0.69824050       0.17917574       0.15993423 
           0.41345096       0.18163146       0.08616108 
           0.85862036       0.18358580       0.66395294 
           0.31339857       0.77511300       0.32511284 
           0.33161605       0.67891122       0.40672768 
   
  
  
           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 
   
  
  
          0.02072927       0.46164723       0.07495984 
          0.00893832       0.54321823       0.43288832 
          0.27233273       0.46435113       0.19471198 
          0.26327520       0.54310040       0.31243490 
          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 
          0.01213960       0.46540995       0.55490812 
          0.01791882       0.54057411       0.95528588 
          0.25690458       0.46909658       0.68998287 
          0.24090279       0.55153553       0.81325410 
          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 
          0.51055775       0.46760719       0.05368075 
          0.51741375       0.54445342       0.43444071 
          0.75513261       0.46288612       0.19056663 
          0.76259464       0.54032324       0.30548292 
          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 
          0.50632061       0.46620391       0.55943514 
          0.48904715       0.55326604       0.93983609 
          0.76198921       0.46483814       0.67877959 
          0.75560987       0.52998074       0.84188224 
          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 
          0.10576541       0.66801267       0.78765199 
          0.51812129       0.66449821       0.48242795 
          0.18549044       0.61069396       0.74192513 
          0.53658895       0.60083980       0.51587911 
          0.98427660       0.59449150       0.52744299 
          0.27407524       0.59550865       0.21418073 
          0.02905821       0.59223792       0.05308245 
          0.76987517       0.59080746       0.20268265 
          0.51144785       0.60418114       0.03783699 
          0.71016495       0.47447271       0.93184867 
          0.98784225       0.18437263       0.52898816 
          0.24897445       0.18409585       0.22020406 
          0.18365902       0.17818411       0.78970740 
          0.78104024       0.18323979       0.22927577 
          0.51386886       0.18558688       0.02923079 
          0.82171403       0.18179811       0.75252910 
          0.25774197       0.70050037       0.92101823 
          0.72845319       0.68855681       0.37748275 
          0.85541875       0.66141574       0.85103069 
          0.53003334       0.70609647       0.64420323 
          0.08193975       0.71969174       0.64465332 
          0.07713381       0.60102959       0.58788961 
          0.17365906       0.59644645       0.15231983 
          0.92372852       0.59519479       0.11072294 
          0.66859822       0.59684027       0.14568495 
          0.41781578       0.60547814       0.10340656 
          0.81472649       0.45197484       0.94964400 
          0.22940712       0.69634296       0.45037172 
          0.29743480       0.66115579       0.32589478 
          0.99828946       0.14990785       0.48983458 
          0.13131824       0.17378180       0.19460630 
          0.05749025       0.17309530       0.77399847 
          0.69824050       0.17917574       0.15993423 
          0.41345096       0.18163146       0.08616108 
          0.85862036       0.18358580       0.66395294 
          0.31339857       0.77511300       0.32511284 
          0.33161605       0.67891122       0.40672768 
  
  
     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 
  
 
 
  
      25.99   26.04
      29.21   29.26
   
        123.65170997 
      23555.45242408 
     -35036.20225626 
        173.11352025 
      10239.95902789 
      -9563.30171726 
          0.01853245 
       -366.33095927 
      12674.55391393 
       1800.91419578 
       1800.89566333 
       1800.90801830 
   
  
  
      31.13   31.19
      31.14   31.19
   
       -115.70464354 
       -115.66720190 
       -115.69216299 
   
  
  
      27.72   27.75
      27.72   27.76
   
       -406.40049129 
       -406.35467439 
       -406.38521899 
   
  
  
      29.15   29.22
      29.16   29.22
   
       -419.55834457 
       -419.51291147 
       -419.54320021 
   
  
  
      30.30   30.34
      30.59   30.63
   
       -420.02788023 
       -419.98288098 
       -420.01288048 
   
  
  
      29.56   29.61
      31.89   31.95
   
       -392.22138031 
       -392.19931254 
       -392.21402439 
   
  
  
      26.06   26.14
      28.49   28.57
   
       -393.53435541 
       -393.50806729 
       -393.52559270 
   
  
  
      27.71   27.77
      29.28   29.35
   
       -392.47589441 
       -392.45269513 
       -392.46816131 
   
  
  
      27.52   27.59
      28.94   29.01
   
       -393.13984589 
       -393.12389927 
       -393.13453035 
   
  
  
      28.06   28.10
      29.57   29.61
   
       -393.27119573 
       -393.24709298 
       -393.26316148 
   
  
  
      26.13   26.17
      27.68   27.73
   
       -393.32708215 
       -393.30851724 
       -393.32089385 
   
  
  
      27.27   27.33
      28.75   28.81
   
       -393.39830744 
       -393.38195024 
       -393.39285504 
   
  
  
      28.54   28.59
      30.21   30.26
   
       -393.43974008 
       -393.42450087 
       -393.43466034 
   
  
  
      28.82   28.88
      30.43   30.50
   
       -393.47792275 
       -393.46412469 
       -393.47332340 
   
  
  
      27.15   27.20
      28.58   28.63
   
       -393.50468672 
       -393.49251733 
       -393.50063025 
   
  
  
      26.79   26.85
      28.49   28.55
   
       -393.52992759 
       -393.51918049 
       -393.52634522 
   
  
  
      26.71   26.75
      28.67   28.72
   
       -393.56758625 
       -393.55937268 
       -393.56484839 
   
  
  
      27.40   27.45
      29.63   29.68
   
       -393.60120398 
       -393.59545359 
       -393.59928718 
   
  
  
      27.56   27.62
      29.42   29.49
   
       -393.62512196 
       -393.62132408 
       -393.62385600 
   
  
  
      28.67   28.70
      30.50   30.53
   
       -393.63685669 
       -393.63370284 
       -393.63580541 
   
  
  
      28.35   28.40
      30.32   30.38
   
       -393.64881195 
       -393.64629867 
       -393.64797419 
   
  
  
      28.19   28.24
      29.88   29.93
   
       -393.65452083 
       -393.65233682 
       -393.65379283 
   
  
  
      28.50   28.55
      30.29   30.34
   
       -393.66020150 
       -393.65844544 
       -393.65961615