vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 13 
  16:45:24 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.99000000      0.32000000      0.75000000
       -0.00300000      0.00000000     -0.00100000      0.00100000      0.00000000      0.01700000      0.06100000      0.01500000     -0.00100000      0.00600000      0.00100000      0.00100000      0.00100000      0.00000000     -0.00300000      0.00000000      0.01800000      0.01000000      0.00400000      0.00000000
     -0.00400000     -0.00100000      0.00100000      0.17200000      0.01700000      0.00000000      0.01700000     -0.04100000      0.00600000      0.00000000      0.00000000      0.00100000      0.00000000     -0.00100000     -0.00800000      0.02300000      0.00100000      0.00400000      0.00000000      0.00000000
      0.00000000     -0.00100000      0.00000000      0.00000000      0.00100000      0.00000000      0.00000000      0.00200000      0.00100000      0.00600000     -0.00100000      0.01400000      0.00100000     -0.00200000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10600000      0.00400000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      25.32620000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       2103.26511137 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.03948480       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.22459720       0.47208198       0.10833733 
           0.95811722       0.59094944       0.42970457 
           0.56618252       0.46956420       0.23916042 
           0.35970485       0.56585832       0.34601345 
           0.00090721       0.23735711       0.43232288 
           0.25090721       0.23735711       0.31733748 
           0.00090721       0.31027447       0.06294002 
           0.25090721       0.31027447       0.18672034 
           0.00090721       0.38677860       0.43655247 
           0.25090721       0.38677860       0.31310789 
           0.05717888       0.50270552       0.48335541 
           0.03504888       0.55860869       0.97920974 
           0.20986903       0.49311809       0.74905926 
           0.17017253       0.60376578       0.77307672 
           0.25090721       0.23735711       0.81733748 
           0.00090721       0.31027447       0.56294002 
           0.25090721       0.31027447       0.68672034 
           0.00090721       0.38677860       0.93655247 
           0.25090721       0.38677860       0.81310789 
           0.73828704       0.50441095       0.86426309 
           0.76573058       0.69034566       0.76226935 
           0.83191372       0.47295668       0.19661613 
           0.85380802       0.53889241       0.26321042 
           0.50090721       0.23735711       0.43232288 
           0.75090721       0.23735711       0.31733748 
           0.50090721       0.31027447       0.06294002 
           0.75090721       0.31027447       0.18672034 
           0.50090721       0.38677860       0.43655247 
           0.75090721       0.38677860       0.31310789 
           0.47486648       0.44721272       0.63982439 
           0.42880907       0.59549851       0.85841382 
           0.82969483       0.49535583       0.68827666 
           0.72568721       0.56680869       0.83426702 
           0.50090721       0.23735711       0.93232288 
           0.75090721       0.23735711       0.81733748 
           0.75090721       0.31027447       0.68672034 
           0.50090721       0.38677860       0.93655247 
           0.75090721       0.38677860       0.81310789 
           0.05504251       0.68552666       0.78122604 
           0.77226341       0.58994046       0.66342813 
           0.14146142       0.67074676       0.63635217 
           0.22210125       0.62304546       0.52495199 
           0.79154655       0.62604091       0.80158185 
           0.33882717       0.51770567       0.92099211 
           0.02289174       0.61336891       0.11532317 
           0.76964162       0.55205930       0.04635365 
           0.56488198       0.60629178       0.09815472 
           0.70704999       0.51491304       0.98316331 
           0.04605265       0.17286983       0.53306531 
           0.31616293       0.21295067       0.12054924 
           0.14747332       0.17235516       0.92747335 
           0.67878481       0.18852089       0.17031936 
           0.72610843       0.21964623       0.11803516 
           0.86001925       0.18523388       0.76604986 
           0.29499894       0.67794135       0.97643056 
           0.29209091       0.57516631       0.44281925 
           0.86918237       0.63026805       0.84955222 
           0.32485329       0.58680990       0.34989411 
           0.84423475       0.74175781       0.60831356 
           0.15045341       0.68121202       0.42340137 
           0.23254946       0.57372158       0.10091444 
           0.89619965       0.61510404       0.09030232 
           0.72034551       0.63341735       0.16331719 
           0.46918650       0.62281973       0.08781041 
           0.72617472       0.45155857       0.94110323 
           0.36405344       0.64958063       0.43799275 
           0.17493163       0.63883980       0.42119756 
           0.07127563       0.14791811       0.50732787 
           0.27486705       0.16398152       0.24570002 
           0.16139713       0.16878502       0.76892017 
           0.62182057       0.19001651       0.08894346 
           0.45203454       0.16620010       0.08601898 
           0.87836991       0.18656839       0.74403276 
           0.53248259       0.23662947       0.95259915 
           0.37148922       0.79728836       0.83065364 
   
  
  
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          49 
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          51 
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          54 
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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
      189
       -1
       -1
       299.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     F  
         -0.00300000      0.00000000     -0.00100000      0.00100000      0.00000000      0.01700000      0.06100000      0.01500000     -0.00100000      0.00600000      0.00100000      0.00100000      0.00100000      0.00000000     -0.00300000      0.00000000      0.01800000      0.01000000      0.00400000      0.00000000
     -0.00400000     -0.00100000      0.00100000      0.17200000      0.01700000      0.00000000      0.01700000     -0.04100000      0.00600000      0.00000000      0.00000000      0.00100000      0.00000000     -0.00100000     -0.00800000      0.02300000      0.00100000      0.00400000      0.00000000      0.00000000
      0.00000000     -0.00100000      0.00000000      0.00000000      0.00100000      0.00000000      0.00000000      0.00200000      0.00100000      0.00600000     -0.00100000      0.01400000      0.00100000     -0.00200000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10600000      0.00400000
         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
        60
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000001
           0.30000000
          4
           0.40000000
    
   
   
          0.40000000
          1.00000000
          0.10000000
          1.60000000
          1.00000000
    
          4
      F  
        -45
         100.00000000
          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       40
      126
       54
       80
      252
      108
    F  
  
  
        0
       -1
        0
        2
         0.00000000
        -0.02000000
        0
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      0.73000000      0.99000000      0.32000000      0.75000000
      301
        10.00000000
       -10.00000000
         0.00000000
  
  
        1
    F  
    F  
    F  
    F  
    F  
    F  
    F  
    F  
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
        3
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000     35.45300000      1.00000000     14.00100000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
    T  
  
   T  
   F  
       0
   F  
       0
  
   --
        1
    F  
   
    F  
    F  
    F  
    F  
    F  
        -1.00000000
        0
        0
         0.00000000
         0.00000000
         0.00000000
         1.00000000
         1.00000000
         1.00000000
         1.00000000
        1
        1
        1
    F  
    F  
    F  
        0
        0
    F  
         0.00000000
         0.00000000
        0
  
  
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
        16.82612089
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
        -1.00000000
         0.00200000
        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
    F  
         0.00000000      0.00000000      0.00000000
    T  
    F  
    F  
    F  
    T  
        0
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000
  
  
    F  
    F  
    F  
    F  
    T  
        0
       -1     0     0     0
    F  
    F  
    F  
    F  
    F  
    F  
        2
    F  
    F  
    F  
    F  
    F  
    F  
        -2.00000000
        -2.00000000
        -1.00000000
    F  
       -1
         0.00000000
        0
        0
       -1
       -1
       -1
       60
        1
        3
        4
        0
       -30.00000000
       -30.00000000
      -200.00000000
        0
        -0.10000000
    F  
    F  
    F  
    F  
    F  
    F  
    F  
        1
        1
        1
     2800
        0
       -1
       -1
         0.80000001
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
        75 
         5 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    Cl   3
    Cl   3
    Cl   3
    Cl   3
    Cl   3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    N    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      40Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      14O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       5Cl     35.45300000      7.00000000  PAW_PBE Cl 06Sep2000                  
      15H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      25.32620000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      2103.26511137 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.03948480       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.22459720       0.47208198       0.10833733 
          0.95811722       0.59094944       0.42970457 
          0.56618252       0.46956420       0.23916042 
          0.35970485       0.56585832       0.34601345 
          0.00090721       0.23735711       0.43232288 
          0.25090721       0.23735711       0.31733748 
          0.00090721       0.31027447       0.06294002 
          0.25090721       0.31027447       0.18672034 
          0.00090721       0.38677860       0.43655247 
          0.25090721       0.38677860       0.31310789 
          0.05717888       0.50270552       0.48335541 
          0.03504888       0.55860869       0.97920974 
          0.20986903       0.49311809       0.74905926 
          0.17017253       0.60376578       0.77307672 
          0.25090721       0.23735711       0.81733748 
          0.00090721       0.31027447       0.56294002 
          0.25090721       0.31027447       0.68672034 
          0.00090721       0.38677860       0.93655247 
          0.25090721       0.38677860       0.81310789 
          0.73828704       0.50441095       0.86426309 
          0.76573058       0.69034566       0.76226935 
          0.83191372       0.47295668       0.19661613 
          0.85380802       0.53889241       0.26321042 
          0.50090721       0.23735711       0.43232288 
          0.75090721       0.23735711       0.31733748 
          0.50090721       0.31027447       0.06294002 
          0.75090721       0.31027447       0.18672034 
          0.50090721       0.38677860       0.43655247 
          0.75090721       0.38677860       0.31310789 
          0.47486648       0.44721272       0.63982439 
          0.42880907       0.59549851       0.85841382 
          0.82969483       0.49535583       0.68827666 
          0.72568721       0.56680869       0.83426702 
          0.50090721       0.23735711       0.93232288 
          0.75090721       0.23735711       0.81733748 
          0.75090721       0.31027447       0.68672034 
          0.50090721       0.38677860       0.93655247 
          0.75090721       0.38677860       0.81310789 
          0.05504251       0.68552666       0.78122604 
          0.77226341       0.58994046       0.66342813 
          0.14146142       0.67074676       0.63635217 
          0.22210125       0.62304546       0.52495199 
          0.79154655       0.62604091       0.80158185 
          0.33882717       0.51770567       0.92099211 
          0.02289174       0.61336891       0.11532317 
          0.76964162       0.55205930       0.04635365 
          0.56488198       0.60629178       0.09815472 
          0.70704999       0.51491304       0.98316331 
          0.04605265       0.17286983       0.53306531 
          0.31616293       0.21295067       0.12054924 
          0.14747332       0.17235516       0.92747335 
          0.67878481       0.18852089       0.17031936 
          0.72610843       0.21964623       0.11803516 
          0.86001925       0.18523388       0.76604986 
          0.29499894       0.67794135       0.97643056 
          0.29209091       0.57516631       0.44281925 
          0.86918237       0.63026805       0.84955222 
          0.32485329       0.58680990       0.34989411 
          0.84423475       0.74175781       0.60831356 
          0.15045341       0.68121202       0.42340137 
          0.23254946       0.57372158       0.10091444 
          0.89619965       0.61510404       0.09030232 
          0.72034551       0.63341735       0.16331719 
          0.46918650       0.62281973       0.08781041 
          0.72617472       0.45155857       0.94110323 
          0.36405344       0.64958063       0.43799275 
          0.17493163       0.63883980       0.42119756 
          0.07127563       0.14791811       0.50732787 
          0.27486705       0.16398152       0.24570002 
          0.16139713       0.16878502       0.76892017 
          0.62182057       0.19001651       0.08894346 
          0.45203454       0.16620010       0.08601898 
          0.87836991       0.18656839       0.74403276 
          0.53248259       0.23662947       0.95259915 
          0.37148922       0.79728836       0.83065364 
  
  
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      26.18   26.21
      27.52   27.55
   
        123.65170997 
      27218.45500475 
     -37643.67414484 
        184.66758746 
      10239.95902789 
      -9563.30171726 
         -0.00347785 
       -449.90430191 
      12674.55391393 
       2784.40360214 
       2784.40708000 
       2784.40476143 
   
  
  
      31.69   31.70
      31.70   31.71
   
        743.11348965 
        743.11269721 
        743.11322550 
   
  
  
      34.75   34.76
      34.75   34.77
   
        359.19388952 
        359.17455621 
        359.18744508 
   
  
  
      31.66   31.67
      31.66   31.67
   
        334.86771406 
        334.78003153 
        334.83848655 
   
  
  
      33.13   33.15
      33.38   33.41
   
        333.73599674 
        333.64345771 
        333.70515040 
   
  
  
      34.31   34.36
      35.72   35.78
   
        340.03270712 
        340.06623558 
        340.04388327 
   
  
  
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      31.89   31.95
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      29.85   29.89
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        289.35003837 
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      28.87   28.92
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      33.19   33.23
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        405.42570229 
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      31.51   31.55
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        317.17307902 
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        321.55679859 
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      32.88   32.91
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        301.70170781 
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      30.15   30.19
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        323.17385298 
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      27.72   27.79
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      28.29   28.36
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      29.01   29.07
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      28.05   28.09
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      29.58   29.62
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      25.64   25.69
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        419.84577272 
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      25.20   25.27
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        417.17931951 
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      24.15   24.22
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        418.48655126 
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      25.45   25.51
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        418.94286504 
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      24.12   24.16
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        418.97337177 
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      32.62   32.66
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