vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 17 
  14:30:43 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
      95
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        0.75000000      0.32000000      0.77000000      1.11000000      0.73000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           20.00000000       0.00000000       0.00000000 
            0.00000000      15.00000000       0.00000000 
            0.00000000       0.00000000      15.00000000 
    
       4500.00000000 
    
            0.05000000       0.00000000       0.00000000 
            0.00000000       0.06666667       0.00000000 
            0.00000000       0.00000000       0.06666667 
    
   
   
           0.78867316       0.40314055       0.59034236 
           0.80710601       0.42897208       0.64952806 
           0.82877214       0.41198859       0.54693095 
           0.14434894       0.51951971       0.36451929 
           0.19738640       0.61559483       0.37134459 
           0.21546615       0.52935001       0.29310102 
           0.10310358       0.55477688       0.65701739 
           0.14445216       0.64315282       0.59951109 
           0.09934154       0.56007028       0.53823059 
           0.41363963       0.43675432       0.29407611 
           0.41117158       0.34602627       0.37164605 
           0.33883480       0.41551959       0.35662961 
           0.52003253       0.27411784       0.57332918 
           0.52607284       0.34972100       0.48152180 
           0.54473558       0.38660455       0.59205703 
           0.24069404       0.69440578       0.50491278 
           0.29692790       0.67034141       0.59291668 
           0.32338418       0.65955099       0.48012868 
           0.43450055       0.62082648       0.55891338 
           0.44334187       0.55825558       0.65928114 
           0.50633416       0.55328501       0.57548897 
           0.31706539       0.44977540       0.64148678 
           0.30167756       0.38144484       0.54812640 
           0.31860287       0.44874151       0.56786310 
           0.19662047       0.54273424       0.36074754 
           0.13176202       0.57154233       0.59671009 
           0.39403942       0.41494822       0.35910412 
           0.51163615       0.34322839       0.55196292 
           0.28109193       0.64921457       0.52588428 
           0.45197256       0.55704829       0.58673440 
           0.40854037       0.45983898       0.53435822 
           0.25482007       0.52914102       0.52644690 
           0.23727474       0.49623085       0.42309800 
           0.18965347       0.51665995       0.59430189 
           0.41811229       0.47531977       0.42535988 
           0.44306698       0.36448399       0.56629834 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
          23 
          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
          36 
  
 
 
  
          1        1        1 
         0.00000000       0.00000000       0.00000000 
         1.00000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       80
       -1
       -1
        87.00000000
        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  
          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  
   
   
        95
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000003
           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
   
  
  
       98
       80
       80
      196
      160
      160
    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
         0.75000000      0.32000000      0.77000000      1.11000000      0.73000000
      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
  
  
        2
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        14.00100000      1.00000000     12.01100000     28.08500000     16.00000000
         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
        75.00000000
         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
       95
        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  
  
 
 
        36 
         5 
  
   ion
   element
   atomtype
   
    N    1
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    C    3
    C    3
    C    3
    C    3
    C    3
    C    3
    C    3
    Si   4
    Si   4
    O    5
    O    5
    O    5
    O    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
      22H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       7C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       2Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       4O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
   
  
 
 
  
   
          20.00000000       0.00000000       0.00000000 
           0.00000000      15.00000000       0.00000000 
           0.00000000       0.00000000      15.00000000 
   
      4500.00000000 
   
           0.05000000       0.00000000       0.00000000 
           0.00000000       0.06666667       0.00000000 
           0.00000000       0.00000000       0.06666667 
   
  
  
          0.78867316       0.40314055       0.59034236 
          0.80710601       0.42897208       0.64952806 
          0.82877214       0.41198859       0.54693095 
          0.14434894       0.51951971       0.36451929 
          0.19738640       0.61559483       0.37134459 
          0.21546615       0.52935001       0.29310102 
          0.10310358       0.55477688       0.65701739 
          0.14445216       0.64315282       0.59951109 
          0.09934154       0.56007028       0.53823059 
          0.41363963       0.43675432       0.29407611 
          0.41117158       0.34602627       0.37164605 
          0.33883480       0.41551959       0.35662961 
          0.52003253       0.27411784       0.57332918 
          0.52607284       0.34972100       0.48152180 
          0.54473558       0.38660455       0.59205703 
          0.24069404       0.69440578       0.50491278 
          0.29692790       0.67034141       0.59291668 
          0.32338418       0.65955099       0.48012868 
          0.43450055       0.62082648       0.55891338 
          0.44334187       0.55825558       0.65928114 
          0.50633416       0.55328501       0.57548897 
          0.31706539       0.44977540       0.64148678 
          0.30167756       0.38144484       0.54812640 
          0.31860287       0.44874151       0.56786310 
          0.19662047       0.54273424       0.36074754 
          0.13176202       0.57154233       0.59671009 
          0.39403942       0.41494822       0.35910412 
          0.51163615       0.34322839       0.55196292 
          0.28109193       0.64921457       0.52588428 
          0.45197256       0.55704829       0.58673440 
          0.40854037       0.45983898       0.53435822 
          0.25482007       0.52914102       0.52644690 
          0.23727474       0.49623085       0.42309800 
          0.18965347       0.51665995       0.59430189 
          0.41811229       0.47531977       0.42535988 
          0.44306698       0.36448399       0.56629834 
  
 
 
  
       3.09    3.30
       5.92    6.14
   
          6.34847707 
       5575.07648522 
      -8139.84317641 
        264.06206472 
       2564.72054280 
      -2541.99018201 
         -0.00167890 
       -610.18060847 
       3504.07976474 
        622.27168876 
        622.27336766 
        622.27224839 
   
  
  
       5.61    5.62
       5.61    5.62
   
         82.17919057 
         82.15831346 
         82.17223153 
   
  
  
       4.97    4.98
       4.97    4.98
   
       -147.39614562 
       -147.38916289 
       -147.39381804 
   
  
  
       4.92    4.93
       4.92    4.93
   
       -169.26607288 
       -169.27970956 
       -169.27061844 
   
  
  
       5.17    5.19
       5.42    5.44
   
       -169.73724599 
       -169.75140453 
       -169.74196550 
   
  
  
       3.56    3.61
       5.72    5.78
   
        -71.17534741 
        -71.19202030 
        -71.18090504 
   
  
  
       3.63    3.67
       7.96    8.02
   
       -121.46260910 
       -121.47923032 
       -121.46814951 
   
  
  
       3.79    3.81
       7.60    7.63
   
       -136.41015576 
       -136.42911784 
       -136.41647645 
   
  
  
       3.25    3.31
       7.40    7.47
   
       -165.18659161 
       -165.21337665 
       -165.19551996 
   
  
  
       3.22    3.29
       6.92    6.99
   
       -176.85610704 
       -176.88854063 
       -176.86691824 
   
  
  
       3.01    3.08
       6.77    6.85
   
       -183.79319802 
       -183.82380408 
       -183.80340004 
   
  
  
       2.94    3.08
       6.85    7.00
   
       -188.28679627 
       -188.31565654 
       -188.29641636 
   
  
  
       3.21    3.33
       7.11    7.23
   
       -189.37293635 
       -189.40732271 
       -189.38439847 
   
  
  
       2.75    2.84
       6.57    6.68
   
       -190.44954015 
       -190.48280355 
       -190.46062795 
   
  
  
       2.87    2.96
       7.10    7.20
   
       -190.76759415 
       -190.80254508 
       -190.77924446 
   
  
  
       3.13    3.19
       7.00    7.08
   
       -191.36482794 
       -191.39999517 
       -191.37655035 
   
  
  
       3.20    3.28
       7.20    7.28
   
       -191.74564695 
       -191.78088480 
       -191.75739290 
   
  
  
       3.09    3.17
       6.95    7.04
   
       -191.91035255 
       -191.94571703 
       -191.92214071 
   
  
  
       3.13    3.25
       7.12    7.28
   
       -192.03178340 
       -192.06716087 
       -192.04357589 
   
  
  
       2.70    2.77
       6.67    6.76
   
       -192.09776133 
       -192.13313230 
       -192.10955166 
   
  
  
       3.57    3.67
       7.33    7.44
   
       -192.13527124 
       -192.17065661 
       -192.14706637 
   
  
  
       3.22    3.34
       7.19    7.32
   
       -192.13898674 
       -192.17437621 
       -192.15078323 
   
  
  
       2.85    2.90
       6.55    6.61
   
       -192.14946666 
       -192.18486618 
       -192.16126650 
   
  
  
       2.92    3.00
       7.04    7.13
   
       -192.14998487 
       -192.18538701 
       -192.16178558 
   
  
  
       2.85    2.93
       7.11    7.21
   
       -192.16391275 
       -192.19932678 
       -192.17571743 
   
  
  
       2.63    2.73
       6.75    6.88
   
       -192.16386369 
       -192.19927863 
       -192.17566867 
   
  
  
       3.23    3.29
       7.37    7.43
   
      -1182.20389672 
      -1182.17121037 
      -1182.19300127 
   
  
  
       3.56    3.65
       8.08    8.18
   
     -27880.04464628 
     -27880.03170101 
     -27880.04033119 
   
  
  
       3.88    4.01
       8.63    8.77
   
    **************** 
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