vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 12 
  20:59:40 
 
 
  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
  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 
    
   
   
           0.73870406       0.31728517       0.84008684 
           0.20174673       0.04189209       0.32137296 
           0.01935895       0.39130615       0.81998618 
           0.87203108       0.92436433       0.11072711 
           0.00255386       0.23859816       0.43333025 
           0.25255386       0.23859816       0.31834485 
           0.00255386       0.31151552       0.06394739 
           0.25255386       0.31151552       0.18772771 
           0.00255386       0.38801965       0.43755984 
           0.25255386       0.38801965       0.31411526 
           0.86147040       0.24745960       0.37824324 
           0.52213958       0.45177347       0.36223293 
           0.60092693       0.99170425       0.29181920 
           0.02135954       0.38360117       0.45399345 
           0.25255386       0.23859816       0.81834485 
           0.00255386       0.31151552       0.56394739 
           0.25255386       0.31151552       0.68772771 
           0.00255386       0.38801965       0.93755984 
           0.25255386       0.38801965       0.81411526 
           0.36285788       0.55027300       0.08543283 
           0.79473908       0.53393449       0.96705713 
           0.16622544       0.54068755       0.41108187 
           0.32257347       0.83877176       0.05613530 
           0.50255386       0.23859816       0.43333025 
           0.75255386       0.23859816       0.31834485 
           0.50255386       0.31151552       0.06394739 
           0.75255386       0.31151552       0.18772771 
           0.50255386       0.38801965       0.43755984 
           0.75255386       0.38801965       0.31411526 
           0.46736265       0.58755117       0.43362464 
           0.65048110       0.36038626       0.00173534 
           0.35917589       0.67777066       0.34129512 
           0.51145033       0.23711925       0.69833938 
           0.50255386       0.23859816       0.93333025 
           0.75255386       0.23859816       0.81834485 
           0.75255386       0.31151552       0.68772771 
           0.50255386       0.38801965       0.93755984 
           0.75255386       0.38801965       0.81411526 
           0.45334807       0.90103820       0.18887299 
           0.37700802       0.34246598       0.52232502 
           0.76236632       0.17197672       0.56011898 
           0.74824461       0.36207538       0.90341515 
           0.35719885       0.71328751       0.12126783 
           0.48249262       0.23134127       0.49088786 
           0.25787944       0.07947349       0.08023136 
           0.55752426       0.33463720       0.74672541 
           0.64369969       0.72729816       0.11390013 
           0.97299155       0.81103254       0.11407757 
           0.48155143       0.52922299       0.71794161 
           0.31903229       0.88902731       0.70691531 
           0.28338878       0.15243719       0.07094142 
           0.12222037       0.68727700       0.81420731 
           0.39720335       0.86792739       0.19547212 
           0.91297437       0.01288603       0.90132193 
           0.58330083       0.74503685       0.52082601 
           0.77383315       0.45158745       0.96987110 
           0.56576526       0.39942252       0.45086658 
           0.60095726       0.03459933       0.44661621 
           0.64872947       0.90527865       0.18546711 
           0.87301350       0.34398119       0.76116211 
           0.36316378       0.59961022       0.95602837 
           0.30397119       0.83072139       0.76418222 
           0.36655613       0.50384825       0.31510657 
           0.53107651       0.74698498       0.59491097 
           0.15244174       0.47597040       0.76468726 
           0.89133944       0.31464960       0.29263400 
           0.11089702       0.67516566       0.45987686 
           0.10729517       0.39073824       0.27818940 
           0.12838479       0.57749513       0.60064853 
           0.64868235       0.51221117       0.70066528 
           0.54722119       0.44172808       0.90958171 
           0.67465252       0.48911952       0.60786778 
           0.31230564       0.67516294       0.35406222 
           0.79204514       0.80449891       0.84513047 
           0.34260779       0.85693236       0.56387280 
   
  
  
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          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
       605.39200000
         0.00001000
       38
       10
      225
       -1
       -1
       294.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     F  
          1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
         -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
      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
         0.00000000      0.00000000      0.00000000      0.00000000
         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 
         4 
  
   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
    O    2
    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
    H    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      40Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      15O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       4Cl     35.45300000      7.00000000  PAW_PBE Cl 06Sep2000                  
      16H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           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 
   
  
  
          0.73870406       0.31728517       0.84008684 
          0.20174673       0.04189209       0.32137296 
          0.01935895       0.39130615       0.81998618 
          0.87203108       0.92436433       0.11072711 
          0.00255386       0.23859816       0.43333025 
          0.25255386       0.23859816       0.31834485 
          0.00255386       0.31151552       0.06394739 
          0.25255386       0.31151552       0.18772771 
          0.00255386       0.38801965       0.43755984 
          0.25255386       0.38801965       0.31411526 
          0.86147040       0.24745960       0.37824324 
          0.52213958       0.45177347       0.36223293 
          0.60092693       0.99170425       0.29181920 
          0.02135954       0.38360117       0.45399345 
          0.25255386       0.23859816       0.81834485 
          0.00255386       0.31151552       0.56394739 
          0.25255386       0.31151552       0.68772771 
          0.00255386       0.38801965       0.93755984 
          0.25255386       0.38801965       0.81411526 
          0.36285788       0.55027300       0.08543283 
          0.79473908       0.53393449       0.96705713 
          0.16622544       0.54068755       0.41108187 
          0.32257347       0.83877176       0.05613530 
          0.50255386       0.23859816       0.43333025 
          0.75255386       0.23859816       0.31834485 
          0.50255386       0.31151552       0.06394739 
          0.75255386       0.31151552       0.18772771 
          0.50255386       0.38801965       0.43755984 
          0.75255386       0.38801965       0.31411526 
          0.46736265       0.58755117       0.43362464 
          0.65048110       0.36038626       0.00173534 
          0.35917589       0.67777066       0.34129512 
          0.51145033       0.23711925       0.69833938 
          0.50255386       0.23859816       0.93333025 
          0.75255386       0.23859816       0.81834485 
          0.75255386       0.31151552       0.68772771 
          0.50255386       0.38801965       0.93755984 
          0.75255386       0.38801965       0.81411526 
          0.45334807       0.90103820       0.18887299 
          0.37700802       0.34246598       0.52232502 
          0.76236632       0.17197672       0.56011898 
          0.74824461       0.36207538       0.90341515 
          0.35719885       0.71328751       0.12126783 
          0.48249262       0.23134127       0.49088786 
          0.25787944       0.07947349       0.08023136 
          0.55752426       0.33463720       0.74672541 
          0.64369969       0.72729816       0.11390013 
          0.97299155       0.81103254       0.11407757 
          0.48155143       0.52922299       0.71794161 
          0.31903229       0.88902731       0.70691531 
          0.28338878       0.15243719       0.07094142 
          0.12222037       0.68727700       0.81420731 
          0.39720335       0.86792739       0.19547212 
          0.91297437       0.01288603       0.90132193 
          0.58330083       0.74503685       0.52082601 
          0.77383315       0.45158745       0.96987110 
          0.56576526       0.39942252       0.45086658 
          0.60095726       0.03459933       0.44661621 
          0.64872947       0.90527865       0.18546711 
          0.87301350       0.34398119       0.76116211 
          0.36316378       0.59961022       0.95602837 
          0.30397119       0.83072139       0.76418222 
          0.36655613       0.50384825       0.31510657 
          0.53107651       0.74698498       0.59491097 
          0.15244174       0.47597040       0.76468726 
          0.89133944       0.31464960       0.29263400 
          0.11089702       0.67516566       0.45987686 
          0.10729517       0.39073824       0.27818940 
          0.12838479       0.57749513       0.60064853 
          0.64868235       0.51221117       0.70066528 
          0.54722119       0.44172808       0.90958171 
          0.67465252       0.48911952       0.60786778 
          0.31230564       0.67516294       0.35406222 
          0.79204514       0.80449891       0.84513047 
          0.34260779       0.85693236       0.56387280 
  
  
     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 
  
 
 
  
      29.40   29.44
      32.68   32.71
   
        117.93208328 
       9302.42681064 
     -18763.55143192 
        165.56909839 
      10046.92708312 
      -9370.43527668 
          0.02030107 
       -631.79415850 
      12445.10377463 
       3312.19828403 
       3312.17798296 
       3312.19151700 
   
  
  
      36.78   36.80
      36.78   36.80
   
       1383.71881853 
       1383.70257023 
       1383.71340243 
   
  
  
      38.15   38.20
      38.15   38.21
   
       1010.45693813 
       1010.45031241 
       1010.45472955 
   
  
  
      36.43   36.48
      36.43   36.48
   
        990.21477663 
        990.20056662 
        990.21003996 
   
  
  
      37.12   37.16
      37.57   37.62
   
        989.59302658 
        989.57854231 
        989.58819849 
   
  
  
      35.77   35.81
      37.82   37.86
   
       1141.19571255 
       1141.18482654 
       1141.19208388 
   
  
  
      33.19   33.25
      34.95   35.01
   
        943.39834299 
        943.36965718 
        943.38878106 
   
  
  
      34.69   34.74
      36.16   36.22
   
       1036.85341262 
       1036.84474096 
       1036.85052207 
   
  
  
      33.80   33.85
      35.39   35.45
   
       1177.21146801 
       1177.16812654 
       1177.19702086 
   
  
  
      33.19   33.25
      34.66   34.71
   
       1226.31597231 
       1226.36583080 
       1226.33259180 
   
  
  
      34.46   34.52
      36.15   36.21
   
       1225.02500838 
       1225.04010093 
       1225.03003923 
   
  
  
      37.80   37.86
      39.30   39.36
   
       1224.21521332 
       1224.22571640 
       1224.21871435 
   
  
  
      39.11   39.16
      40.81   40.86
   
       1201.32018222 
       1201.30573546 
       1201.31536663 
   
  
  
      35.13   35.18
      36.64   36.69
   
        572.00643109 
        572.04533802 
        572.01940006 
   
  
  
      34.78   34.85
      36.38   36.45
   
       1202.45875739 
       1202.50204944 
       1202.47318807 
   
  
  
      34.71   34.75
      36.89   36.93
   
       1213.10389354 
       1213.17023815 
       1213.12600841 
   
  
  
      35.64   35.68
      37.25   37.29
   
       1210.37855454 
       1210.37302623 
       1210.37671177 
   
  
  
      34.56   34.60
      36.11   36.15
   
       1198.52488317 
       1198.60842233 
       1198.55272956 
   
  
  
      36.44   36.49
      38.04   38.08
   
       1198.05921069 
       1198.01945142 
       1198.04595760 
   
  
  
      36.20   36.25
      37.82   37.87
   
       1218.93372669 
       1218.87257651 
       1218.91334329 
   
  
  
      33.93   33.98
      35.49   35.54
   
       1235.00507846 
       1235.00521368 
       1235.00512353 
   
  
  
      34.66   34.69
      36.17   36.20
   
       1242.13226717 
       1242.08709338 
       1242.11720924 
   
  
  
      32.59   32.63
      34.11   34.16
   
       1244.23239750 
       1244.15450096 
       1244.20643199 
   
  
  
      34.71   34.76
      36.29   36.34
   
       1244.99478731 
       1244.87089777 
       1244.95349079 
   
  
  
      32.91   32.95
      34.72   34.76
   
       1245.89705525 
       1245.99391156 
       1245.92934069 
   
  
  
      32.79   32.83
      34.39   34.43
   
       1239.18925342 
       1239.19507712 
       1239.19119466 
   
  
  
      32.37   32.41
      33.89   33.92
   
       1233.93908877 
       1233.98859898 
       1233.95559217 
   
  
  
      32.14   32.20
      33.79   33.84
   
       1236.71652832 
       1236.74321518 
       1236.72542394 
   
  
  
      33.33   33.38
      35.02   35.08
   
       1231.81443461 
       1231.82860749 
       1231.81915890 
   
  
  
      33.03   33.10
      34.68   34.75
   
       1219.54925665 
       1219.54760263 
       1219.54870531 
   
  
  
      35.15   35.22
      36.69   36.76
   
       1209.95117501 
       1209.94959297 
       1209.95064766 
   
  
  
      33.46   33.52
      35.01   35.07
   
       1202.41558865 
       1202.42817786 
       1202.41978506 
   
  
  
      30.10   30.13
      31.54   31.57
   
       1197.81095678 
       1197.82547126 
       1197.81579494 
   
  
  
      29.62   29.65
      31.40   31.43
   
       1194.15268321 
       1194.18118435 
       1194.16218359 
   
  
  
      29.88   29.96
      31.54   31.62
   
       1195.33194805 
       1195.35120235 
       1195.33836615 
   
  
  
      29.51   29.55
      31.24   31.28
   
       1193.67517438 
       1193.67122232 
       1193.67385702 
   
  
  
      28.79   28.84
      30.39   30.46
   
       1190.72619145 
       1190.68069752 
       1190.71102681 
   
  
  
      27.75   27.78
      29.28   29.33
   
       1189.14440092 
       1189.13616007 
       1189.14165397 
   
  
  
      29.82   29.85
      31.33   31.36
   
       1189.05499039 
       1189.02119966 
       1189.04372682 
   
  
  
      29.70   29.74
      31.22   31.26
   
       1192.86215350 
       1192.81688006 
       1192.84706236 
   
  
  
      30.03   30.08
      31.77   31.82
   
       1195.70636168 
       1195.66527935 
       1195.69266757