vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 12 
  20:59:39 
 
 
  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 
    
   
   
           0.74274164       0.15178884       0.95150694 
           0.95149368       0.13079319       0.83498434 
           0.78916560       0.92130690       0.20183893 
           0.56590222       0.88682506       0.74023576 
           0.00297950       0.23884577       0.43346984 
           0.25297950       0.23884577       0.31848444 
           0.00297950       0.31176313       0.06408698 
           0.25297950       0.31176313       0.18786730 
           0.00297950       0.38826726       0.43769943 
           0.25297950       0.38826726       0.31425485 
           0.35343925       0.03290809       0.76592067 
           0.76401918       0.39194130       0.59843058 
           0.99841379       0.74210693       0.44435618 
           0.02553445       0.10916330       0.25727670 
           0.25297950       0.23884577       0.81848444 
           0.00297950       0.31176313       0.56408698 
           0.25297950       0.31176313       0.68786730 
           0.00297950       0.38826726       0.93769943 
           0.25297950       0.38826726       0.81425485 
           0.01067629       0.76017767       0.78507063 
           0.42963135       0.81892536       0.62123625 
           0.35576904       0.27203668       0.30086743 
           0.76269227       0.20491798       0.17372823 
           0.50297950       0.23884577       0.43346984 
           0.75297950       0.23884577       0.31848444 
           0.50297950       0.31176313       0.06408698 
           0.75297950       0.31176313       0.18786730 
           0.50297950       0.38826726       0.43769943 
           0.75297950       0.38826726       0.31425485 
           0.65449596       0.36737126       0.50985543 
           0.19547441       0.15449271       0.41571113 
           0.63816620       0.04124216       0.50089325 
           0.97650637       0.00643912       0.34145171 
           0.50297950       0.23884577       0.93346984 
           0.75297950       0.23884577       0.81848444 
           0.75297950       0.31176313       0.68786730 
           0.50297950       0.38826726       0.93769943 
           0.75297950       0.38826726       0.81425485 
           0.16416905       0.27343328       0.95420257 
           0.62262604       0.36603161       0.89410544 
           0.03065454       0.60596436       0.73058757 
           0.30991109       0.16134989       0.80702289 
           0.91624643       0.69432926       0.05615601 
           0.89241768       0.86701011       0.18707360 
           0.03749725       0.37968395       0.89486648 
           0.54078222       0.01635412       0.25223059 
           0.98259144       0.79399797       0.18526273 
           0.17155004       0.97085599       0.75901620 
           0.47531285       0.61483102       0.52954573 
           0.34992210       0.79042107       0.48231477 
           0.83632049       0.25718537       0.94574073 
           0.72917797       0.47879026       0.31611530 
           0.86763144       0.09445322       0.34245637 
           0.28494143       0.87295094       0.78715464 
           0.27596979       0.63513602       0.23103921 
           0.09107169       0.91817637       0.29523888 
           0.27736988       0.02602518       0.18646599 
           0.07425383       0.53414150       0.37420972 
           0.84610685       0.16060487       0.25041279 
           0.78431511       0.61255012       0.15427669 
           0.96101055       0.98161979       0.04673806 
           0.44391673       0.25923831       0.82651064 
           0.14146191       0.63346007       0.81737480 
           0.95008349       0.68112485       0.86745774 
           0.22924263       0.98402837       0.50371948 
           0.54791955       0.97561946       0.40643743 
           0.26017166       0.97514620       0.46074094 
           0.23993913       0.09378842       0.46190854 
           0.84238504       0.66617900       0.95563720 
           0.79870668       0.88817715       0.77457989 
           0.93183300       0.04224490       0.93884615 
           0.34730893       0.90739920       0.32744433 
           0.65910484       0.96296332       0.68200771 
           0.26120264       0.86412093       0.38283632 
           0.83426857       0.32433329       0.05884151 
   
  
  
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          64 
          65 
          66 
          67 
          68 
          69 
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          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 
   
  
  
          0.74274164       0.15178884       0.95150694 
          0.95149368       0.13079319       0.83498434 
          0.78916560       0.92130690       0.20183893 
          0.56590222       0.88682506       0.74023576 
          0.00297950       0.23884577       0.43346984 
          0.25297950       0.23884577       0.31848444 
          0.00297950       0.31176313       0.06408698 
          0.25297950       0.31176313       0.18786730 
          0.00297950       0.38826726       0.43769943 
          0.25297950       0.38826726       0.31425485 
          0.35343925       0.03290809       0.76592067 
          0.76401918       0.39194130       0.59843058 
          0.99841379       0.74210693       0.44435618 
          0.02553445       0.10916330       0.25727670 
          0.25297950       0.23884577       0.81848444 
          0.00297950       0.31176313       0.56408698 
          0.25297950       0.31176313       0.68786730 
          0.00297950       0.38826726       0.93769943 
          0.25297950       0.38826726       0.81425485 
          0.01067629       0.76017767       0.78507063 
          0.42963135       0.81892536       0.62123625 
          0.35576904       0.27203668       0.30086743 
          0.76269227       0.20491798       0.17372823 
          0.50297950       0.23884577       0.43346984 
          0.75297950       0.23884577       0.31848444 
          0.50297950       0.31176313       0.06408698 
          0.75297950       0.31176313       0.18786730 
          0.50297950       0.38826726       0.43769943 
          0.75297950       0.38826726       0.31425485 
          0.65449596       0.36737126       0.50985543 
          0.19547441       0.15449271       0.41571113 
          0.63816620       0.04124216       0.50089325 
          0.97650637       0.00643912       0.34145171 
          0.50297950       0.23884577       0.93346984 
          0.75297950       0.23884577       0.81848444 
          0.75297950       0.31176313       0.68786730 
          0.50297950       0.38826726       0.93769943 
          0.75297950       0.38826726       0.81425485 
          0.16416905       0.27343328       0.95420257 
          0.62262604       0.36603161       0.89410544 
          0.03065454       0.60596436       0.73058757 
          0.30991109       0.16134989       0.80702289 
          0.91624643       0.69432926       0.05615601 
          0.89241768       0.86701011       0.18707360 
          0.03749725       0.37968395       0.89486648 
          0.54078222       0.01635412       0.25223059 
          0.98259144       0.79399797       0.18526273 
          0.17155004       0.97085599       0.75901620 
          0.47531285       0.61483102       0.52954573 
          0.34992210       0.79042107       0.48231477 
          0.83632049       0.25718537       0.94574073 
          0.72917797       0.47879026       0.31611530 
          0.86763144       0.09445322       0.34245637 
          0.28494143       0.87295094       0.78715464 
          0.27596979       0.63513602       0.23103921 
          0.09107169       0.91817637       0.29523888 
          0.27736988       0.02602518       0.18646599 
          0.07425383       0.53414150       0.37420972 
          0.84610685       0.16060487       0.25041279 
          0.78431511       0.61255012       0.15427669 
          0.96101055       0.98161979       0.04673806 
          0.44391673       0.25923831       0.82651064 
          0.14146191       0.63346007       0.81737480 
          0.95008349       0.68112485       0.86745774 
          0.22924263       0.98402837       0.50371948 
          0.54791955       0.97561946       0.40643743 
          0.26017166       0.97514620       0.46074094 
          0.23993913       0.09378842       0.46190854 
          0.84238504       0.66617900       0.95563720 
          0.79870668       0.88817715       0.77457989 
          0.93183300       0.04224490       0.93884615 
          0.34730893       0.90739920       0.32744433 
          0.65910484       0.96296332       0.68200771 
          0.26120264       0.86412093       0.38283632 
          0.83426857       0.32433329       0.05884151 
  
  
     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 
  
 
 
  
      27.67   27.70
      30.42   30.44
   
        117.93208328 
       2723.32175367 
     -13689.58520297 
        154.84834638 
      10046.92708312 
      -9370.43527668 
         -0.01195874 
       -510.33728568 
      12445.10377463 
       1917.76331700 
       1917.77527574 
       1917.76730325 
   
  
  
      35.52   35.53
      35.52   35.53
   
        239.32198520 
        239.30994698 
        239.31797246 
   
  
  
      33.72   33.77
      33.72   33.77
   
        -28.61176379 
        -28.57184221 
        -28.59845660 
   
  
  
      35.62   35.66
      35.63   35.66
   
        -40.01419210 
        -39.97856260 
        -40.00231560 
   
  
  
      36.15   36.18
      36.44   36.47
   
        -40.40348153 
        -40.36833925 
        -40.39176744 
   
  
  
      32.69   32.72
      34.06   34.09
   
        -29.28048119 
        -29.28355640 
        -29.28150626 
   
  
  
      44.83   44.86
      46.26   46.29
   
      -2011.64380392 
      -2011.63395041 
      -2011.64051942 
   
  
  
      38.38   38.42
      39.85   39.89
   
       -232.10969968 
       -232.10579956 
       -232.10839964 
   
  
  
      38.28   38.32
      39.93   39.97
   
         60.91334835 
         60.91796234 
         60.91488635 
   
  
  
      35.50   35.57
      36.84   36.93
   
         -2.21991058 
         -2.25271800 
         -2.23084639 
   
  
  
      35.24   35.28
      36.66   36.71
   
         92.79889622 
         92.77181266 
         92.78986837 
   
  
  
      34.32   34.38
      35.72   35.79
   
         74.86314510 
         74.84587765 
         74.85738928 
   
  
  
      34.02   34.09
      35.61   35.68
   
         48.58931143 
         48.62944935 
         48.60269073 
   
  
  
      34.48   34.54
      36.08   36.14
   
         55.56246317 
         55.54943255 
         55.55811963 
   
  
  
      34.38   34.43
      35.81   35.86
   
         72.07931716 
         72.15002338 
         72.10288590 
   
  
  
      32.52   32.55
      33.90   33.93
   
         69.91068552 
         69.89234727 
         69.90457277 
   
  
  
      32.61   32.66
      34.00   34.05
   
         76.81556690 
         76.81966905 
         76.81693428 
   
  
  
      32.11   32.15
      33.58   33.63
   
         79.65850598 
         79.71307817 
         79.67669671 
   
  
  
      32.64   32.68
      34.16   34.20
   
         80.60563091 
         80.74612960 
         80.65246381 
   
  
  
      32.95   33.01
      34.49   34.54
   
         71.19893700 
         71.17244445 
         71.19010615 
   
  
  
      30.76   30.79
      32.53   32.57
   
         73.00122302 
         73.07213955 
         73.02486187 
   
  
  
      31.14   31.21
      32.58   32.65
   
         72.74478857 
         72.73819206 
         72.74258973 
   
  
  
      34.37   34.43
      35.83   35.89
   
         73.54183166 
         73.54383082 
         73.54249804 
   
  
  
      30.68   30.74
      32.25   32.31
   
         73.48278684 
         73.47722429 
         73.48093266 
   
  
  
      30.49   30.55
      31.91   31.98
   
         72.48127367 
         72.49277213 
         72.48510649 
   
  
  
      33.02   33.09
      34.50   34.56
   
         72.73076960 
         72.72208389 
         72.72787436 
   
  
  
      30.44   30.49
      31.88   31.92
   
         71.88050004 
         71.89463550 
         71.88521186 
   
  
  
      31.50   31.55
      33.03   33.07
   
         71.31719052 
         71.31533739 
         71.31657281 
   
  
  
      32.57   32.62
      34.20   34.25
   
         70.11556715 
         70.13065789 
         70.12059739 
   
  
  
      33.16   33.22
      34.74   34.80
   
         69.14653623 
         69.15459063 
         69.14922103 
   
  
  
      31.17   31.20
      32.77   32.80
   
         69.55344137 
         69.56104875 
         69.55597716 
   
  
  
      30.98   31.02
      32.39   32.43
   
         69.59630292 
         69.57822446 
         69.59027677 
   
  
  
      32.50   32.56
      34.23   34.30
   
         70.02448351 
         70.05828696 
         70.03575133 
   
  
  
      28.81   28.88
      30.47   30.53
   
         68.90973144 
         68.95046439 
         68.92330909 
   
  
  
      26.65   26.70
      28.24   28.29
   
         69.06866269 
         69.10897341 
         69.08209959 
   
  
  
      28.54   28.59
      29.99   30.04
   
         69.84771798 
         69.88183704 
         69.85909100 
   
  
  
      27.13   27.18
      28.70   28.74
   
         68.83041289 
         68.86141889 
         68.84074822 
   
  
  
      29.77   29.81
      31.21   31.26
   
         68.87226739 
         68.93551603 
         68.89335027 
   
  
  
      27.38   27.44
      28.86   28.93
   
         66.83418860 
         66.86411474 
         66.84416398 
   
  
  
      27.14   27.18
      28.65   28.69
   
         68.17221941 
         68.23656865 
         68.19366916 
   
  
  
      26.82   26.85
      28.37   28.41
   
         76.26762843 
         76.30399589 
         76.27975092 
   
  
  
      26.91   26.99
      28.58   28.67
   
         80.90797141 
         80.96137686 
         80.92577323 
   
  
  
      27.12   27.22
      28.76   28.86
   
         80.63696613 
         80.65740978 
         80.64378068