vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 17 
  01:05:25 
 
 
  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 
    
   
   
           0.70391646       0.45011066       0.59436681 
           0.72368509       0.45817999       0.65431078 
           0.74192981       0.44933582       0.54915280 
           0.15083086       0.51727509       0.36680482 
           0.20669628       0.61037536       0.36813079 
           0.22069349       0.52032875       0.29309579 
           0.11008095       0.54907700       0.65739923 
           0.14989649       0.63769454       0.59820533 
           0.10619113       0.55210274       0.53851168 
           0.41948717       0.43046015       0.29444985 
           0.41872306       0.34035968       0.37254579 
           0.34576807       0.40910968       0.35892725 
           0.52700130       0.26948921       0.57302800 
           0.53203012       0.35140962       0.47949807 
           0.58466476       0.41503985       0.59232410 
           0.24701612       0.69010843       0.50457075 
           0.30447999       0.66667768       0.59135378 
           0.32951488       0.65561363       0.47800507 
           0.44068134       0.61824339       0.55850619 
           0.45008737       0.55581510       0.65869401 
           0.51315786       0.55122876       0.57521404 
           0.32428441       0.44576322       0.64121632 
           0.30924919       0.37783936       0.54743877 
           0.32593080       0.44503151       0.56766623 
           0.20355230       0.53746045       0.36049927 
           0.13835495       0.56573741       0.59673546 
           0.40088511       0.40883992       0.35994138 
           0.51361025       0.33399169       0.54573550 
           0.28785628       0.64525344       0.52477029 
           0.45879788       0.55485764       0.58624952 
           0.41534016       0.45836760       0.53405559 
           0.26180962       0.52507500       0.52643570 
           0.24409273       0.49141508       0.42340250 
           0.19722253       0.51266963       0.59514062 
           0.42590656       0.46979449       0.42519310 
           0.45083067       0.36219536       0.56833441 
   
  
  
           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 
   
  
  
          0.70391646       0.45011066       0.59436681 
          0.72368509       0.45817999       0.65431078 
          0.74192981       0.44933582       0.54915280 
          0.15083086       0.51727509       0.36680482 
          0.20669628       0.61037536       0.36813079 
          0.22069349       0.52032875       0.29309579 
          0.11008095       0.54907700       0.65739923 
          0.14989649       0.63769454       0.59820533 
          0.10619113       0.55210274       0.53851168 
          0.41948717       0.43046015       0.29444985 
          0.41872306       0.34035968       0.37254579 
          0.34576807       0.40910968       0.35892725 
          0.52700130       0.26948921       0.57302800 
          0.53203012       0.35140962       0.47949807 
          0.58466476       0.41503985       0.59232410 
          0.24701612       0.69010843       0.50457075 
          0.30447999       0.66667768       0.59135378 
          0.32951488       0.65561363       0.47800507 
          0.44068134       0.61824339       0.55850619 
          0.45008737       0.55581510       0.65869401 
          0.51315786       0.55122876       0.57521404 
          0.32428441       0.44576322       0.64121632 
          0.30924919       0.37783936       0.54743877 
          0.32593080       0.44503151       0.56766623 
          0.20355230       0.53746045       0.36049927 
          0.13835495       0.56573741       0.59673546 
          0.40088511       0.40883992       0.35994138 
          0.51361025       0.33399169       0.54573550 
          0.28785628       0.64525344       0.52477029 
          0.45879788       0.55485764       0.58624952 
          0.41534016       0.45836760       0.53405559 
          0.26180962       0.52507500       0.52643570 
          0.24409273       0.49141508       0.42340250 
          0.19722253       0.51266963       0.59514062 
          0.42590656       0.46979449       0.42519310 
          0.45083067       0.36219536       0.56833441 
  
 
 
  
       4.64    4.79
       7.18    7.33
   
          6.34847707 
       5684.52903690 
      -8252.27619210 
        263.65934349 
       2564.72054280 
      -2541.99018201 
          0.01710498 
       -541.81519202 
       3504.07976474 
        687.27270386 
        687.25559888 
        687.26700220 
   
  
  
       5.85    5.85
       5.85    5.85
   
        104.86789953 
        104.85541388 
        104.86373765 
   
  
  
       4.96    4.96
       4.96    4.97
   
       -145.30103596 
       -145.30730123 
       -145.30312438 
   
  
  
       5.05    5.06
       5.05    5.06
   
       -168.37605929 
       -168.38185729 
       -168.37799196 
   
  
  
       3.79    3.81
       4.53    4.55
   
       -168.86961276 
       -168.87541073 
       -168.87154542 
   
  
  
       2.87    2.93
       7.34    7.41
   
        -65.77478105 
        -65.72920518 
        -65.75958909 
   
  
  
       3.10    3.15
       6.92    6.99
   
       -109.40678046 
       -109.41582735 
       -109.40979609 
   
  
  
       2.58    2.61
       6.19    6.23
   
       -125.78677721 
       -125.79704949 
       -125.79020130 
   
  
  
       3.10    3.15
       6.73    6.79
   
       -147.00814087 
       -147.01393878 
       -147.01007351 
   
  
  
       3.26    3.30
       7.32    7.37
   
       -167.36413914 
       -167.36660924 
       -167.36496251 
   
  
  
       3.12    3.17
       7.14    7.21
   
       -173.60304576 
       -173.58393417 
       -173.59667523 
   
  
  
       2.90    2.96
       6.94    7.02
   
       -174.68016615 
       -174.63788387 
       -174.66607206 
   
  
  
       3.05    3.11
       7.00    7.09
   
       -180.79610735 
       -180.75024303 
       -180.78081925 
   
  
  
       3.11    3.17
       7.00    7.07
   
       -184.13261142 
       -184.15968303 
       -184.14163529 
   
  
  
       3.26    3.34
       7.29    7.38
   
       -184.25414382 
       -184.26307017 
       -184.25711927 
   
  
  
       3.03    3.09
       7.05    7.12
   
       -184.40793014 
       -184.41378767 
       -184.40988265 
   
  
  
       3.02    3.14
       6.99    7.12
   
       -184.22740924 
       -184.23479928 
       -184.22987259 
   
  
  
       2.55    2.64
       6.53    6.64
   
       -184.20335623 
       -184.20980105 
       -184.20550450 
   
  
  
       2.95    3.01
       7.18    7.25
   
       -185.65108914 
       -185.65688722 
       -185.65302183 
   
  
  
       2.80    2.89
       7.29    7.41
   
       -186.26111120 
       -186.26690910 
       -186.26304383 
   
  
  
       3.35    3.44
       8.49    8.60
   
       -186.16141872 
       -186.16722482 
       -186.16335408 
   
  
  
       2.61    2.66
       7.10    7.16
   
       -186.36087155 
       -186.36759866 
       -186.36311392 
   
  
  
       2.60    2.67
       6.79    6.89
   
       -185.64640525 
       -185.66490533 
       -185.65257194 
   
  
  
       3.11    3.21
       8.50    8.62
   
       -186.00002797 
       -186.00363015 
       -186.00122869 
   
  
  
       2.85    2.92
       7.81    7.91
   
       -185.73326396 
       -185.69455778 
       -185.72036190 
   
  
  
       2.85    2.90
       6.99    7.04
   
       -185.24410939 
       -185.19481551 
       -185.22767810 
   
  
  
       2.92    3.02
       7.08    7.18
   
       -184.41086534 
       -184.36771420 
       -184.39648162 
   
  
  
       2.65    2.75
       6.96    7.07
   
       -183.70093690 
       -183.65052075 
       -183.68413151 
   
  
  
       3.33    3.41
       8.01    8.12
   
       -183.43456383 
       -183.38410839 
       -183.41774535 
   
  
  
       3.60    3.65
       7.81    7.86
   
       -184.17896066 
       -184.12875153 
       -184.16222428 
   
  
  
       2.56    2.64
       6.28    6.37
   
       -185.15070309 
       -185.10378533 
       -185.13506384 
   
  
  
       2.34    2.36
       6.91    6.94
   
       -188.11937683 
       -188.14386291 
       -188.12753885 
   
  
  
       2.28    2.32
       6.98    7.03
   
       -187.92734817 
       -187.93539035 
       -187.93002889 
   
  
  
       2.39    2.43
       7.07    7.13
   
       -188.60440837 
       -188.61267212 
       -188.60716295 
   
  
  
       1.66    1.70
       5.31    5.36
   
       -188.31040326 
       -188.33289912 
       -188.31790188 
   
  
  
       1.08    1.09
       3.14    3.15
   
       -188.30585159 
       -188.32813903 
       -188.31328073 
   
  
  
       0.92    0.92
       2.83    2.84
   
       -187.83356411 
       -187.80896072 
       -187.82536298 
   
  
  
       0.95    0.95
       2.77    2.78
   
       -187.62358686 
       -187.58550998 
       -187.61089456 
   
  
  
       0.90    0.90
       2.52    2.53
   
       -187.97946711 
       -187.95787888 
       -187.97227103 
   
  
  
       0.80    0.81
       2.46    2.46
   
       -188.01991149 
       -187.98674915 
       -188.00885737 
   
  
  
       0.77    0.77
       2.47    2.47
   
       -188.26546848 
       -188.25638636 
       -188.26244111 
   
  
  
       0.74    0.74
       2.46    2.47
   
       -188.45720808 
       -188.46680173 
       -188.46040596 
   
  
  
       0.82    0.82
       2.53    2.53
   
       -188.47047257 
       -188.48315167 
       -188.47469894 
   
  
  
       0.80    0.80
       2.49    2.49
   
       -188.58885660 
       -188.61098233 
       -188.59623184 
   
  
  
       0.82    0.82
       2.57    2.58
   
       -188.56594301 
       -188.58667290 
       -188.57285297 
   
  
  
       0.93    0.93
       2.72    2.72
   
       -188.55610733 
       -188.57600725 
       -188.56274064 
   
  
  
       1.04    1.04
       2.71    2.71
   
       -188.55501677 
       -188.57442575 
       -188.56148643 
   
  
  
       0.98    0.99
       2.83    2.84
   
       -188.54723722 
       -188.56624752 
       -188.55357399 
   
  
  
       1.02    1.03
       2.85    2.85
   
       -188.54920934 
       -188.56840168 
       -188.55560679 
   
  
  
       0.72    0.72
       2.49    2.50
   
       -188.54926310 
       -188.56846646 
       -188.55566422 
   
  
  
       0.62    0.63
       2.26    2.27
   
       -188.54337583 
       -188.56212452 
       -188.54962540 
   
  
  
       0.59    0.60
       2.30    2.31
   
       -188.53468743 
       -188.55267831 
       -188.54068439 
   
  
  
       0.60    0.60
       2.13    2.13
   
       -188.50806459 
       -188.52479850 
       -188.51364256 
   
  
  
       0.62    0.63
       2.08    2.09
   
       -188.43137492 
       -188.44284482 
       -188.43519822 
   
  
  
       0.60    0.60
       2.02    2.02
   
       -188.30496593 
       -188.30458582 
       -188.30483923 
   
  
  
       0.63    0.63
       2.04    2.05
   
       -188.25876048 
       -188.25767661 
       -188.25839919 
   
  
  
       0.61    0.62
       2.04    2.05
   
       -188.05407624 
       -188.04672789 
       -188.05162679 
   
  
  
       0.66    0.66
       2.10    2.11
   
       -187.96872715 
       -187.95364083 
       -187.96369838 
   
  
  
       0.60    0.61
       2.04    2.04
   
       -187.96518774 
       -187.95147538 
       -187.96061695 
   
  
  
       0.63    0.64
       2.07    2.08
   
       -187.95611588 
       -187.94114838 
       -187.95112672 
   
  
  
       0.62    0.63
       2.04    2.04
   
       -187.87336082 
       -187.85523748 
       -187.86731970 
   
  
  
       0.60    0.60
       2.01    2.02
   
       -187.87106576 
       -187.85307893 
       -187.86507015 
   
  
  
       0.58    0.59
       2.00    2.00
   
       -187.86622483 
       -187.84734126 
       -187.85993031 
   
  
  
       0.59    0.60
       2.01    2.02
   
       -187.86338244 
       -187.84424964 
       -187.85700484 
   
  
  
       0.63    0.64
       2.05    2.06
   
       -187.86599438 
       -187.84685823 
       -187.85961566 
   
  
  
       0.57    0.57
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       0.74    0.74
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       0.72    0.73
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       0.71    0.72
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       0.72    0.72
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       0.71    0.71
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       0.78    0.78
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       0.77    0.77
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       0.79    0.79
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       0.77    0.78
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       0.74    0.75
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    **************** 
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