vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 18 
  19:47:34 
 
 
  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 
    
   
   
           0.01766655       0.46103182       0.07555736 
           0.00598840       0.54231239       0.43414218 
           0.26945060       0.46351781       0.19482941 
           0.26006871       0.54208157       0.31348498 
           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 
           0.00962712       0.46453530       0.55577892 
           0.01586410       0.54013352       0.95653054 
           0.25427665       0.46841210       0.69085896 
           0.23944083       0.55068125       0.81455503 
           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 
           0.50831619       0.46686925       0.05434279 
           0.51403260       0.54428029       0.43431775 
           0.75223782       0.46225453       0.19148698 
           0.75974068       0.53978918       0.30663775 
           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 
           0.50372598       0.46590755       0.55991058 
           0.48717669       0.55237892       0.94126151 
           0.75928395       0.46426887       0.67943401 
           0.75380327       0.52935170       0.84308698 
           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 
           0.10816402       0.66733893       0.78685345 
           0.52540280       0.66539473       0.48283327 
           0.18768838       0.60974658       0.74306640 
           0.52939737       0.60165025       0.51205416 
           0.98081978       0.59293472       0.53016844 
           0.27153722       0.59526070       0.21735339 
           0.02698820       0.59154108       0.05500194 
           0.76702172       0.59036956       0.20411921 
           0.50860863       0.60337679       0.03929059 
           0.70823980       0.47364219       0.93233229 
           0.98522579       0.18358585       0.52945460 
           0.24675916       0.18330778       0.22079411 
           0.18081902       0.17740732       0.79038596 
           0.77827080       0.18247002       0.22984268 
           0.51138270       0.18485437       0.02988147 
           0.81911006       0.18099588       0.75307310 
           0.25821207       0.69984335       0.92178648 
           0.74653895       0.68815944       0.38825847 
           0.85747806       0.66043030       0.85043783 
           0.53851619       0.70605880       0.64573374 
           0.08824692       0.71769357       0.64268988 
           0.07792461       0.60147062       0.58543411 
           0.17114418       0.59655684       0.15565768 
           0.92116068       0.59461555       0.11196888 
           0.66553726       0.59629124       0.14722967 
           0.41501893       0.60485227       0.10464442 
           0.81296269       0.45116194       0.94980239 
           0.29650476       0.71831262       0.40305844 
           0.30248557       0.65899576       0.33138940 
           0.99518800       0.14916503       0.49002973 
           0.12908480       0.17300723       0.19523865 
           0.05454070       0.17247191       0.77467486 
           0.69565056       0.17850099       0.16036389 
           0.41094755       0.18102543       0.08687958 
           0.85602596       0.18287558       0.66448028 
           0.33897736       0.79475083       0.30917814 
           0.33678936       0.68018784       0.40849407 
   
  
  
           1 
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          31 
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          36 
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          41 
          42 
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          45 
          46 
          47 
          48 
          49 
          50 
          51 
          52 
          53 
          54 
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          61 
          62 
          63 
          64 
          65 
          66 
          67 
          68 
          69 
          70 
          71 
          72 
          73 
          74 
          75 
  
 
 
  
          2        1        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.50000000       0.00000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       627.11200000
         0.00001000
       38
       10
      189
       -1
       -1
       299.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     F  
         -0.00300000      0.00000000     -0.00100000      0.00100000      0.00000000      0.01700000      0.06100000      0.01500000     -0.00100000      0.00600000      0.00100000      0.00100000      0.00100000      0.00000000     -0.00300000      0.00000000      0.01800000      0.01000000      0.00400000      0.00000000
     -0.00400000     -0.00100000      0.00100000      0.17200000      0.01700000      0.00000000      0.01700000     -0.04100000      0.00600000      0.00000000      0.00000000      0.00100000      0.00000000     -0.00100000     -0.00800000      0.02300000      0.00100000      0.00400000      0.00000000      0.00000000
      0.00000000     -0.00100000      0.00000000      0.00000000      0.00100000      0.00000000      0.00000000      0.00200000      0.00100000      0.00600000     -0.00100000      0.01400000      0.00100000     -0.00200000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10600000      0.00400000
         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
       200
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000001
           0.30000000
          4
           0.40000000
    
   
   
          0.40000000
          1.00000000
          0.10000000
          1.60000000
          1.00000000
    
          4
      F  
        -45
         100.00000000
          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       40
      126
       54
       80
      252
      108
    F  
  
  
        0
       -1
        0
        2
         0.00000000
        -0.02000000
        0
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      0.73000000      0.99000000      0.32000000      0.75000000
      301
        10.00000000
       -10.00000000
         0.00000000
  
  
        1
    F  
    F  
    F  
    F  
    F  
    F  
    F  
    F  
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
        3
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000     35.45300000      1.00000000     14.00100000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
    T  
  
   T  
   F  
       0
   F  
       0
  
   --
        1
    F  
   
    F  
    F  
    F  
    F  
    F  
        -1.00000000
        0
        0
         0.00000000
         0.00000000
         0.00000000
         1.00000000
         1.00000000
         1.00000000
         1.00000000
        1
        1
        1
    F  
    F  
    F  
        0
        0
    F  
         0.00000000
         0.00000000
        0
  
  
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
        16.82612089
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
        -1.00000000
         0.00200000
        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
    F  
         0.00000000      0.00000000      0.00000000
    T  
    F  
    F  
    F  
    T  
        0
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000
  
  
    F  
    F  
    F  
    F  
    T  
        0
       -1     0     0     0
    F  
    F  
    F  
    F  
    F  
    F  
        2
    F  
    F  
    F  
    F  
    F  
    F  
        -2.00000000
        -2.00000000
        -1.00000000
    F  
       -1
         0.00000000
        0
        0
       -1
       -1
       -1
      200
        1
        3
        4
        0
       -30.00000000
       -30.00000000
      -200.00000000
        0
        -0.10000000
    F  
    F  
    F  
    F  
    F  
    F  
    F  
        1
        1
        1
     2800
        0
       -1
       -1
         0.80000001
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
        75 
         5 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    Cl   3
    Cl   3
    Cl   3
    Cl   3
    Cl   3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    N    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      40Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      14O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       5Cl     35.45300000      7.00000000  PAW_PBE Cl 06Sep2000                  
      15H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      25.32620000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      2103.26511137 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.03948480       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.01766655       0.46103182       0.07555736 
          0.00598840       0.54231239       0.43414218 
          0.26945060       0.46351781       0.19482941 
          0.26006871       0.54208157       0.31348498 
          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 
          0.00962712       0.46453530       0.55577892 
          0.01586410       0.54013352       0.95653054 
          0.25427665       0.46841210       0.69085896 
          0.23944083       0.55068125       0.81455503 
          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 
          0.50831619       0.46686925       0.05434279 
          0.51403260       0.54428029       0.43431775 
          0.75223782       0.46225453       0.19148698 
          0.75974068       0.53978918       0.30663775 
          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 
          0.50372598       0.46590755       0.55991058 
          0.48717669       0.55237892       0.94126151 
          0.75928395       0.46426887       0.67943401 
          0.75380327       0.52935170       0.84308698 
          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 
          0.10816402       0.66733893       0.78685345 
          0.52540280       0.66539473       0.48283327 
          0.18768838       0.60974658       0.74306640 
          0.52939737       0.60165025       0.51205416 
          0.98081978       0.59293472       0.53016844 
          0.27153722       0.59526070       0.21735339 
          0.02698820       0.59154108       0.05500194 
          0.76702172       0.59036956       0.20411921 
          0.50860863       0.60337679       0.03929059 
          0.70823980       0.47364219       0.93233229 
          0.98522579       0.18358585       0.52945460 
          0.24675916       0.18330778       0.22079411 
          0.18081902       0.17740732       0.79038596 
          0.77827080       0.18247002       0.22984268 
          0.51138270       0.18485437       0.02988147 
          0.81911006       0.18099588       0.75307310 
          0.25821207       0.69984335       0.92178648 
          0.74653895       0.68815944       0.38825847 
          0.85747806       0.66043030       0.85043783 
          0.53851619       0.70605880       0.64573374 
          0.08824692       0.71769357       0.64268988 
          0.07792461       0.60147062       0.58543411 
          0.17114418       0.59655684       0.15565768 
          0.92116068       0.59461555       0.11196888 
          0.66553726       0.59629124       0.14722967 
          0.41501893       0.60485227       0.10464442 
          0.81296269       0.45116194       0.94980239 
          0.29650476       0.71831262       0.40305844 
          0.30248557       0.65899576       0.33138940 
          0.99518800       0.14916503       0.49002973 
          0.12908480       0.17300723       0.19523865 
          0.05454070       0.17247191       0.77467486 
          0.69565056       0.17850099       0.16036389 
          0.41094755       0.18102543       0.08687958 
          0.85602596       0.18287558       0.66448028 
          0.33897736       0.79475083       0.30917814 
          0.33678936       0.68018784       0.40849407 
  
  
     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 
  
 
 
  
      26.13   26.17
      29.21   29.25
   
        123.65170997 
      23389.77789764 
     -34870.50751206 
        172.99687309 
      10239.95902789 
      -9563.30171726 
          0.01696829 
       -368.81785170 
      12674.55391393 
       1798.32930980 
       1798.31234151 
       1798.32365371 
   
  
  
      30.75   30.78
      30.75   30.79
   
       -115.07675019 
       -115.06697190 
       -115.07349076 
   
  
  
      28.30   28.35
      28.30   28.35
   
       -406.77269099 
       -406.70692047 
       -406.75076748 
   
  
  
      29.17   29.22
      29.17   29.22
   
       -419.68144900 
       -419.60917292 
       -419.65735697 
   
  
  
      30.92   30.99
      31.44   31.53
   
       -420.14839370 
       -420.07593635 
       -420.12424125 
   
  
  
      29.78   29.82
      32.20   32.24
   
       -394.91369892 
       -394.97043468 
       -394.93261084 
   
  
  
      27.63   27.68
      29.63   29.68
   
       -395.50629519 
       -395.45606082 
       -395.48955040 
   
  
  
      28.47   28.53
      30.07   30.14
   
       -393.79648966 
       -393.85328566 
       -393.81542166 
   
  
  
      28.09   28.14
      29.47   29.51
   
       -394.01244283 
       -393.96807943 
       -393.99765503 
   
  
  
      28.79   28.86
      30.32   30.38
   
       -392.87736178 
       -392.85142925 
       -392.86871760 
   
  
  
      27.51   27.58
      29.02   29.10
   
       -393.03209095 
       -392.97765449 
       -393.01394546 
   
  
  
      27.77   27.86
      29.22   29.31
   
       -392.86041446 
       -392.82543724 
       -392.84875539 
   
  
  
      27.22   27.30
      28.68   28.75
   
       -392.85021051 
       -392.82097157 
       -392.84046420 
   
  
  
      34.32   34.39
      35.87   35.94
   
       -392.84803884 
       -392.81906515 
       -392.83838094 
   
  
  
      27.80   27.85
      29.22   29.28
   
       -392.85545746 
       -392.84200845 
       -392.85097446 
   
  
  
      27.22   27.29
      28.66   28.73
   
       -392.86143176 
       -392.84214395 
       -392.85500249 
   
  
  
      28.97   29.03
      30.44   30.50
   
       -392.95118777 
       -392.93082758 
       -392.94440104 
   
  
  
      28.25   28.33
      29.63   29.71
   
       -393.02279465 
       -393.00155246 
       -393.01571392 
   
  
  
      30.46   30.54
      31.96   32.05
   
       -393.05623935 
       -393.02918858 
       -393.04722242 
   
  
  
      27.02   27.08
      28.55   28.61
   
       -393.09965145 
       -393.06964181 
       -393.08964823 
   
  
  
      27.32   27.39
      28.75   28.84
   
       -393.16380142 
       -393.13576447 
       -393.15445577 
   
  
  
      27.21   27.26
      28.72   28.77
   
       -393.24380932 
       -393.21746077 
       -393.23502647