vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 16 
  20:06:08 
 
 
  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 
    
   
   
           0.02037134       0.46174007       0.07538182 
           0.01093206       0.54352811       0.43340431 
           0.27485052       0.46372708       0.19255462 
           0.26474608       0.54163434       0.31216524 
           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 
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           0.01798832       0.54092453       0.95706088 
           0.25637659       0.46933560       0.69106000 
           0.24036870       0.55150333       0.81481491 
           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 
           0.51298495       0.46794707       0.05157430 
           0.51999666       0.54489155       0.43552133 
           0.75481592       0.46313381       0.19104863 
           0.76517091       0.54027268       0.30654141 
           0.50362882       0.23809093       0.43181341 
           0.75362882       0.23809093       0.31682801 
           0.50362882       0.31100829       0.06243055 
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           0.75362882       0.38751242       0.31259842 
           0.50614571       0.46643977       0.56018573 
           0.48844116       0.55381985       0.94086953 
           0.76227362       0.46548087       0.67972946 
           0.75577938       0.53112290       0.84268308 
           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 
           0.10590542       0.66841140       0.78833739 
           0.50774662       0.66611729       0.47195217 
           0.18210172       0.61048738       0.74309281 
           0.54406254       0.60334691       0.51390921 
           0.99250276       0.59641053       0.52716240 
           0.27624987       0.59462713       0.21328835 
           0.02954309       0.59302349       0.05445995 
           0.77223008       0.59079845       0.20340432 
           0.51201131       0.60454712       0.03949630 
           0.71107112       0.47552849       0.93253457 
           0.98830651       0.18439717       0.52869746 
           0.24754231       0.18466783       0.21861313 
           0.18399640       0.17811529       0.78987536 
           0.78293599       0.18365771       0.22805757 
           0.51479010       0.18596650       0.03030337 
           0.82187276       0.18172668       0.75252392 
           0.25999926       0.70064055       0.92075432 
           0.72456557       0.68998397       0.37256985 
           0.85674097       0.66311124       0.85254711 
           0.53033171       0.70509708       0.63465027 
           0.08432642       0.71949844       0.64337193 
           0.07680636       0.59921766       0.58878214 
           0.17217191       0.59696123       0.15353390 
           0.92387831       0.59599961       0.11209377 
           0.66982006       0.59780609       0.14861122 
           0.41782354       0.60612657       0.10443226 
           0.81373628       0.45171566       0.94672722 
           0.21018686       0.69478848       0.44511655 
           0.29897086       0.65732985       0.32893655 
           0.99909923       0.14995754       0.48954828 
           0.12922423       0.17508743       0.19363963 
           0.05814688       0.17337959       0.77292916 
           0.70025346       0.17924974       0.15888300 
           0.41309055       0.18189809       0.08605946 
           0.85828373       0.18374835       0.66395487 
           0.30388007       0.75459091       0.34646473 
           0.32033890       0.68291963       0.39805856 
   
  
  
           1 
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          49 
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          51 
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          54 
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          58 
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          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 
   
  
  
          0.02037134       0.46174007       0.07538182 
          0.01093206       0.54352811       0.43340431 
          0.27485052       0.46372708       0.19255462 
          0.26474608       0.54163434       0.31216524 
          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 
          0.01245933       0.46570820       0.55548511 
          0.01798832       0.54092453       0.95706088 
          0.25637659       0.46933560       0.69106000 
          0.24036870       0.55150333       0.81481491 
          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 
          0.51298495       0.46794707       0.05157430 
          0.51999666       0.54489155       0.43552133 
          0.75481592       0.46313381       0.19104863 
          0.76517091       0.54027268       0.30654141 
          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 
          0.50614571       0.46643977       0.56018573 
          0.48844116       0.55381985       0.94086953 
          0.76227362       0.46548087       0.67972946 
          0.75577938       0.53112290       0.84268308 
          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 
          0.10590542       0.66841140       0.78833739 
          0.50774662       0.66611729       0.47195217 
          0.18210172       0.61048738       0.74309281 
          0.54406254       0.60334691       0.51390921 
          0.99250276       0.59641053       0.52716240 
          0.27624987       0.59462713       0.21328835 
          0.02954309       0.59302349       0.05445995 
          0.77223008       0.59079845       0.20340432 
          0.51201131       0.60454712       0.03949630 
          0.71107112       0.47552849       0.93253457 
          0.98830651       0.18439717       0.52869746 
          0.24754231       0.18466783       0.21861313 
          0.18399640       0.17811529       0.78987536 
          0.78293599       0.18365771       0.22805757 
          0.51479010       0.18596650       0.03030337 
          0.82187276       0.18172668       0.75252392 
          0.25999926       0.70064055       0.92075432 
          0.72456557       0.68998397       0.37256985 
          0.85674097       0.66311124       0.85254711 
          0.53033171       0.70509708       0.63465027 
          0.08432642       0.71949844       0.64337193 
          0.07680636       0.59921766       0.58878214 
          0.17217191       0.59696123       0.15353390 
          0.92387831       0.59599961       0.11209377 
          0.66982006       0.59780609       0.14861122 
          0.41782354       0.60612657       0.10443226 
          0.81373628       0.45171566       0.94672722 
          0.21018686       0.69478848       0.44511655 
          0.29897086       0.65732985       0.32893655 
          0.99909923       0.14995754       0.48954828 
          0.12922423       0.17508743       0.19363963 
          0.05814688       0.17337959       0.77292916 
          0.70025346       0.17924974       0.15888300 
          0.41309055       0.18189809       0.08605946 
          0.85828373       0.18374835       0.66395487 
          0.30388007       0.75459091       0.34646473 
          0.32033890       0.68291963       0.39805856 
  
  
     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 
  
 
 
  
      41.49   41.67
      42.41   42.59
   
        123.65170997 
      23504.54726086 
     -34985.49211460 
        173.27367301 
      10239.95902789 
      -9563.30171726 
         -0.02659431 
       -341.09502328 
      12674.55391393 
       1826.07013622 
       1826.09673053 
       1826.07900099 
   
  
  
      51.04   51.03
      51.04   51.03
   
       -110.92405521 
       -110.93599226 
       -110.92803423 
   
  
  
      45.20   45.19
      45.20   45.20
   
       -405.57320564 
       -405.58073646 
       -405.57571591 
   
  
  
      48.47   48.47
      48.48   48.47
   
       -419.50538089 
       -419.50796828 
       -419.50624335 
   
  
  
      49.38   49.37
      49.85   49.84
   
       -419.99743489 
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      48.81   48.81
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      47.38   47.37
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       -396.03977265 
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      47.39   47.38
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       -393.75547338 
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      47.40   47.39
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       -394.60811830 
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      46.40   46.39
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       -393.37445856 
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      49.59   49.59
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       -393.36456722 
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      45.65   45.65
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       -393.18459210 
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      49.74   49.73
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       -393.14495360 
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      45.45   45.44
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       -393.20039149 
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      47.94   47.93
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      49.97   49.96
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      44.12   44.12
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      46.12   46.12
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       -393.15170568 
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      49.21   49.21
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       -393.15148569 
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      46.42   46.41
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       -393.15185655 
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      45.02   45.02
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      47.55   47.55
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      44.38   44.37
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       -393.15042425 
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      44.81   44.81
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       -393.14976084 
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      49.96   49.95
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      41.07   41.06
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      42.68   42.68
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      39.85   39.85
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      40.73   40.73
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       -393.15483495 
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      35.23   35.23
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