vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 18 
  15:29:57 
 
 
  No title
       0
  Normal
  Damped
   F  
       1
       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
        0.40000000
       1
        0.20000000
       1
   T  
   F  
        0.20000000
   T  
       1
       1
       1
       1
       4
  Normal
 
 
  
   
    
           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 
    
   
   
           0.72571969       0.43831726       0.59352434 
           0.74472501       0.45068737       0.65297296 
           0.76389876       0.43982277       0.54851984 
           0.14918041       0.51783855       0.36615822 
           0.20425979       0.61169209       0.36901092 
           0.21934970       0.52273294       0.29312178 
           0.10826462       0.55057015       0.65729472 
           0.14851121       0.63912284       0.59853015 
           0.10443557       0.55417349       0.53842630 
           0.41799739       0.43206218       0.29432016 
           0.41684792       0.34177590       0.37221445 
           0.34402392       0.41064656       0.35826321 
           0.52467396       0.26994827       0.57295519 
           0.53044597       0.35129195       0.48019450 
           0.57695683       0.40985916       0.59300574 
           0.24541461       0.69123153       0.50467746 
           0.30253205       0.66758260       0.59179625 
           0.32796272       0.65659536       0.47860027 
           0.43912645       0.61867956       0.55853101 
           0.44828161       0.55630747       0.65880636 
           0.51140024       0.55147823       0.57538777 
           0.32242877       0.44687132       0.64124117 
           0.30723059       0.37876960       0.54764478 
           0.32399195       0.44598019       0.56768693 
           0.20175401       0.53884164       0.36055151 
           0.13664173       0.56727270       0.59672841 
           0.39914299       0.41032373       0.35964299 
           0.51237654       0.33539414       0.54702422 
           0.28612533       0.64626504       0.52508211 
           0.45704900       0.55524698       0.58638097 
           0.41346480       0.45881763       0.53404851 
           0.25998809       0.52612225       0.52642825 
           0.24232951       0.49265390       0.42330826 
           0.19524847       0.51372014       0.59490466 
           0.42390935       0.47109846       0.42519419 
           0.44856646       0.36253298       0.56773108 
   
  
  
           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
       53
       10
       62
       -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
   
   
         1
     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
           0.00000004
           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
  
  
        3
         0.00001000
  
  
        0
         0.75000000      0.32000000      0.77000000      1.11000000      0.73000000
      301
        10.00000000
       -10.00000000
         0.00000000
  
  
        1
    T  
    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
    T  
   normal
    F  
    F  
    F  
    F  
    F  
        -1.00000000
        0
        0
         0.25000000
        -1.00000000
         0.00000000
         0.75000000
         0.75000000
         1.00000000
         1.00000000
        1
        1
        1
    F  
    F  
    F  
        4
        1
    F  
         0.20000000
         0.20000000
        1
  
  
    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 
   
  
  
          0.72571969       0.43831726       0.59352434 
          0.74472501       0.45068737       0.65297296 
          0.76389876       0.43982277       0.54851984 
          0.14918041       0.51783855       0.36615822 
          0.20425979       0.61169209       0.36901092 
          0.21934970       0.52273294       0.29312178 
          0.10826462       0.55057015       0.65729472 
          0.14851121       0.63912284       0.59853015 
          0.10443557       0.55417349       0.53842630 
          0.41799739       0.43206218       0.29432016 
          0.41684792       0.34177590       0.37221445 
          0.34402392       0.41064656       0.35826321 
          0.52467396       0.26994827       0.57295519 
          0.53044597       0.35129195       0.48019450 
          0.57695683       0.40985916       0.59300574 
          0.24541461       0.69123153       0.50467746 
          0.30253205       0.66758260       0.59179625 
          0.32796272       0.65659536       0.47860027 
          0.43912645       0.61867956       0.55853101 
          0.44828161       0.55630747       0.65880636 
          0.51140024       0.55147823       0.57538777 
          0.32242877       0.44687132       0.64124117 
          0.30723059       0.37876960       0.54764478 
          0.32399195       0.44598019       0.56768693 
          0.20175401       0.53884164       0.36055151 
          0.13664173       0.56727270       0.59672841 
          0.39914299       0.41032373       0.35964299 
          0.51237654       0.33539414       0.54702422 
          0.28612533       0.64626504       0.52508211 
          0.45704900       0.55524698       0.58638097 
          0.41346480       0.45881763       0.53404851 
          0.25998809       0.52612225       0.52642825 
          0.24232951       0.49265390       0.42330826 
          0.19524847       0.51372014       0.59490466 
          0.42390935       0.47109846       0.42519419 
          0.44856646       0.36253298       0.56773108 
  
 
 
  
       4.40    4.49
   
          6.34847707 
       5638.11491441 
      -8205.70383856 
        253.94955425 
       2573.98116666 
      -3109.12938481 
          0.00670022 
        104.83690070 
       3464.40647177 
        726.81096170 
        726.80426148 
        726.80872829 
   
  
  
       2.68    2.69
   
        -13.94707591 
        -13.94249512 
        -13.94554898 
   
  
  
       2.66    2.67
   
       -564.04107608 
       -563.98851532 
       -564.02355582 
   
  
  
       2.44    2.46
   
       -777.23688032 
       -777.18046136 
       -777.21807400 
   
  
  
      29.50   29.95
   
       -240.14138552 
       -240.08496656 
       -240.12257920 
   
  
  
       8.56    8.60
   
       -179.03178403 
       -178.97536508 
       -179.01297772 
   
  
  
       8.83    8.86
   
       -206.48190771 
       -206.42548898 
       -206.46310146 
   
  
  
       7.94    7.99
   
       -217.04435876 
       -217.01191521 
       -217.03354425 
   
  
  
       8.76    8.85
   
       -220.34642211 
       -220.29434819 
       -220.32906414 
   
  
  
       9.78    9.90
   
       -221.42362374 
       -221.37079954 
       -221.40601567 
   
  
  
       9.67    9.76
   
       -222.15010734 
       -222.11470842 
       -222.13830770 
   
  
  
      10.34   10.46
   
       -222.40219909 
       -222.32620938 
       -222.37686919 
   
  
  
      10.40   10.51
   
       -220.50824483 
       -220.45182587 
       -220.48943851 
   
  
  
      10.64   10.74
   
       -222.06475981 
       -222.00834085 
       -222.04595349 
   
  
  
       9.93   10.09
   
       -222.48463677 
       -222.42854819 
       -222.46594058 
   
  
  
      10.01   10.09
   
       -222.59869936 
       -222.56260253 
       -222.58666708 
   
  
  
       9.29    9.40
   
       -222.58172215 
       -222.51424669 
       -222.55923033 
   
  
  
       7.89    7.92
   
       -222.32112634 
       -222.26640848 
       -222.30288705 
   
  
  
       8.27    8.35
   
       -222.50429916 
       -222.46118599 
       -222.48992810 
   
  
  
       8.72    8.77
   
       -222.57093991 
       -222.49781438 
       -222.54656473 
   
  
  
       9.68    9.79
   
       -222.09202440 
       -222.03573646 
       -222.07326175 
   
  
  
       9.56    9.61
   
       -222.53517002 
       -222.47974916 
       -222.51669640 
   
  
  
       9.96   10.07
   
       -222.60008425 
       -222.56863141 
       -222.58959997 
   
  
  
       9.58    9.66
   
       -222.56741919 
       -222.48888798 
       -222.54124212 
   
  
  
       9.55    9.61
   
       -219.17031354 
       -219.11389458 
       -219.15150722 
   
  
  
      10.09   10.21
   
       -221.84329327 
       -221.78687431 
       -221.82448695 
   
  
  
       9.23    9.29
   
       -222.37983338 
       -222.32341482 
       -222.36102720 
   
  
  
       9.09    9.13
   
       -222.59017759 
       -222.53825775 
       -222.57287098 
   
  
  
       9.44    9.49
   
       -222.59087691 
       -222.55959250 
       -222.58044877 
   
  
  
       7.85    7.86
   
       -222.56967687 
       -222.48818989 
       -222.54251455 
   
  
  
       6.58    6.60
   
       -221.04164812 
       -220.98522917 
       -221.02284180 
   
  
  
       6.87    6.91
   
       -222.22041708 
       -222.16399813 
       -222.20161077 
   
  
  
       5.67    5.68
   
       -222.49485451 
       -222.44017936 
       -222.47662946 
   
  
  
       5.12    5.13
   
       -222.61749895 
       -222.58353610 
       -222.60617800 
   
  
  
       5.11    5.12
   
       -222.58027574 
       -222.49886180 
       -222.55313776 
   
  
  
       4.99    5.01
   
       -219.93681798 
       -219.88039902 
       -219.91801166 
   
  
  
       4.99    5.00
   
       -221.85424967 
       -221.79783071 
       -221.83544335 
   
  
  
       4.99    5.01
   
       -222.41444299 
       -222.35806059 
       -222.39564885 
   
  
  
       4.97    4.98
   
       -222.60503286 
       -222.56460671 
       -222.59155748 
   
  
  
       4.99    5.00
   
       -222.57808945 
       -222.52423121 
       -222.56013670 
   
  
  
       4.98    4.99
   
       -222.57998838 
       -222.54635798 
       -222.56877824 
   
  
  
       4.98    5.00
   
       -222.53520464 
       -222.45328544 
       -222.50789824 
   
  
  
       4.98    5.00
   
       -220.46356163 
       -220.40714267 
       -220.44475531 
   
  
  
       4.96    5.05
   
       -222.01218102 
       -221.95576206 
       -221.99337470 
   
  
  
       4.95    4.96
   
       -222.47940682 
       -222.42314946 
       -222.46065437 
   
  
  
       4.94    4.95
   
       -222.61049403 
       -222.57395270 
       -222.59831359 
   
  
  
       4.95    4.97
   
       -222.57947395 
       -222.50925209 
       -222.55606666 
   
  
  
       4.97    4.98
   
       -222.26899803 
       -222.21349078 
       -222.25049561 
   
  
  
       4.95    4.97
   
       -222.50877677 
       -222.45979288 
       -222.49244881 
   
  
  
       4.95    4.96
   
       -222.58183567 
       -222.52614187 
       -222.56327107 
   
  
  
       4.95    4.97
   
       -222.58890064 
       -222.54877022 
       -222.57552383 
   
  
  
       4.94    4.95
   
       -222.60733183 
       -222.53373479 
       -222.58279948 
   
  
  
       4.94    4.96
   
       -222.22728800 
       -222.17103199 
       -222.20853599 
   
  
  
       4.95    4.96
   
       -222.50028582 
       -222.44588232 
       -222.48215132 
   
  
  
       4.96    4.98
   
       -222.59942622 
       -222.56705345 
       -222.58863530 
   
  
  
       4.95    4.96
   
       -222.57275219 
       -222.49832595 
       -222.54794344 
   
  
  
       4.96    4.97
   
       -218.19314431 
       -218.13672535 
       -218.17433799 
   
  
  
       4.96    4.97
   
       -221.61074963 
       -221.55433067 
       -221.59194331 
   
  
  
       4.95    4.96
   
       -222.30110839 
       -222.24468943 
       -222.28230207 
   
  
  
       4.94    4.95
   
       -222.59603535 
       -222.54116530 
       -222.57774533 
   
  
  
       4.96    4.97
   
       -222.57218697 
       -222.53321414 
       -222.55919602 
   
  
  
       4.96    4.98
   
       -222.59754474 
       -222.53835844 
       -222.57781597 
   
  
  
       4.98    4.99
   
       -222.56857757 
       -222.53761612 
       -222.55825709 
   
  
  
       4.97    4.98
   
       -222.49783678 
       -222.41576010 
       -222.47047789 
   
  
  
       4.97    4.98
   
       -220.40660158 
       -220.35018262 
       -220.38779526 
   
  
  
       4.97    4.98
   
       -222.12622132 
       -222.06980236 
       -222.10741500 
   
  
  
       4.98    4.99
   
       -222.47615795 
       -222.41979032 
       -222.45736874 
   
  
  
       4.97    4.98
   
       -222.62000999 
       -222.58080884 
       -222.60694294 
   
  
  
       5.23    5.24
   
       -222.58780352 
       -222.52210526 
       -222.56590410 
   
  
  
       4.98    4.99
   
       -222.41220175 
       -222.36225001 
       -222.39555117 
   
  
  
       4.97    4.98
   
       -222.54645897 
       -222.51436751 
       -222.53576181 
   
  
  
       5.21    5.22
   
       -222.52298886 
       -222.44842060 
       -222.49813278 
   
  
  
       4.97    4.98
   
       -218.36880949 
       -218.31239054 
       -218.35000317 
   
  
  
       4.99    5.00
   
       -221.78539856 
       -221.72897960 
       -221.76659224 
   
  
  
       4.95    4.96
   
       -222.33530047 
       -222.27888152 
       -222.31649416 
   
  
  
       4.96    4.97
   
       -222.60917117 
       -222.55376979 
       -222.59070404 
   
  
  
       4.97    4.98
   
       -222.58384258 
       -222.54366345 
       -222.57044954 
   
  
  
       4.95    4.96
   
       -222.60142228 
       -222.54574554 
       -222.58286336 
   
  
  
       4.93    4.95
   
       -222.59847793 
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       4.92    4.93
   
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       4.93    4.94
   
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       4.97    5.03
   
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       4.94    4.95
   
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       4.96    4.97
   
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       4.95    4.96
   
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