vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 31 
  23:59:08 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
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       2
       2
       1
     200
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       1632.96160543 
    
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           0.06757355       0.50441736       0.63956787 
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           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 
  
 
 
  
          2        1        2 
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   No title
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         1
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     T  
   
   
     T  
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      -100
         2
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         0
         2
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         2
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     F  
     F  
   
   
       200
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      T  
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          4
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       40
       96
       54
       80
      192
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        0
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        2
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        1
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    F  
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        2
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
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    T  
  
   T  
   F  
       0
   F  
       0
  
   --
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    F  
    F  
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        0
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    F  
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        0
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    F  
    F  
    F  
    F  
    T  
        0
       -1     0     0     0
    F  
    F  
    F  
    F  
    F  
    F  
        2
    F  
    F  
    F  
    F  
    F  
    F  
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    F  
    F  
    F  
    F  
    F  
    F  
    F  
        1
        1
        1
     2800
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       -1
       -1
         0.80000001
         1.00000000
  
  
         0.00000000
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         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
        36 
         3 
  
   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
    H    2
    H    2
    H    2
    N    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       3H       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      19.66310000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      1632.96160543 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.05085668       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.88341654       0.51329974       0.11078208 
          0.87723485       0.24384329       0.43671094 
          0.14507106       0.46594478       0.18579209 
          0.12827284       0.29361333       0.34974115 
          0.83574483       0.33093513       0.03282825 
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          0.09036223       0.34044344       0.15467620 
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          0.78124407       0.24589753       0.88192700 
          0.06757355       0.50441736       0.63956787 
          0.03846500       0.20985811       0.77278117 
          0.89720543       0.31463404       0.61112726 
          0.86387620       0.43990074       0.94244950 
          0.15824902       0.32719912       0.73125947 
          0.11381517       0.43706529       0.81913423 
          0.39273708       0.52512729       0.11378328 
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          0.62320480       0.29305411       0.35672894 
          0.34180440       0.33703746       0.03432091 
          0.42048276       0.43254749       0.50904472 
          0.59389607       0.34127514       0.16119499 
          0.68291513       0.45971772       0.41059762 
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          0.60279813       0.52791265       0.68305548 
          0.52920071       0.21164577       0.77880598 
          0.40203065       0.32204947       0.59888429 
          0.36304475       0.44716340       0.94683396 
          0.64707972       0.32822397       0.73150802 
          0.61184208       0.43716989       0.82248704 
          0.65974884       0.65819530       0.72771008 
          0.58548426       0.66113736       0.51845402 
          0.34238641       0.62955189       0.51779483 
          0.43320491       0.60198931       0.57470281 
  
 
 
  
      13.14   13.24
      13.71   13.81
   
         24.83226377 
       8729.43542263 
     -11877.65937947 
       -270.61615519 
       3027.27271826 
      -2465.30175395 
          0.01054015 
       -191.06385704 
       3600.01477972 
        576.92457888 
        576.91403874 
        576.92106550 
   
  
  
      16.63   16.64
      16.63   16.64
   
        -95.76927376 
        -95.75987883 
        -95.76614212 
   
  
  
      15.33   15.35
      15.33   15.35
   
       -164.89241502 
       -164.89338600 
       -164.89273868 
   
  
  
      16.67   16.68
      16.67   16.68
   
       -168.06797519 
       -168.07281566 
       -168.06958868 
   
  
  
      16.56   16.58
      16.75   16.77
   
       -168.21126054 
       -168.21627865 
       -168.21293324 
   
  
  
      14.62   14.64
      15.33   15.36
   
       -145.70537678 
       -145.71335878 
       -145.70803745 
   
  
  
      13.92   13.95
      14.77   14.81
   
       -141.83475006 
       -141.82270681 
       -141.83073565 
   
  
  
      14.29   14.31
      15.02   15.04
   
       -143.67605723 
       -143.64460251 
       -143.66557232 
   
  
  
      18.07   18.09
      18.85   18.88
   
      -1656.71767927 
      -1656.70254775 
      -1656.71263543 
   
  
  
      16.03   16.06
      16.85   16.89
   
       -137.24002604 
       -137.24136168 
       -137.24047125 
   
  
  
      16.32   16.35
      17.22   17.24
   
       -146.07105554 
       -146.06337029 
       -146.06849379 
   
  
  
      15.40   15.41
      16.09   16.11
   
       -153.52241347 
       -153.54065228 
       -153.52849307 
   
  
  
      15.26   15.28
      15.91   15.93
   
       -160.42303317 
       -160.44469514 
       -160.43025383 
   
  
  
      14.99   15.01
      15.63   15.65
   
       -166.49122901 
       -166.48961103 
       -166.49068968 
   
  
  
      15.44   15.46
      16.04   16.07
   
       -167.31424650 
       -167.31413494 
       -167.31420931 
   
  
  
      15.10   15.12
      15.77   15.78
   
       -168.12017405 
       -168.11824022 
       -168.11952944 
   
  
  
      16.20   16.22
      17.03   17.04
   
       -169.21162006 
       -169.20661650 
       -169.20995221 
   
  
  
      15.44   15.46
      16.28   16.30
   
       -169.55523027 
       -169.55034140 
       -169.55360065 
   
  
  
      14.52   14.54
      15.29   15.30
   
       -168.98562733 
       -168.98339920 
       -168.98488462 
   
  
  
      15.24   15.26
      15.86   15.87
   
       -169.76205139 
       -169.76126929 
       -169.76179069 
   
  
  
      15.41   15.42
      16.03   16.05
   
       -169.80501541 
       -169.80516485 
       -169.80506523 
   
  
  
      16.40   16.42
      17.03   17.05
   
       -169.84124766 
       -169.84246668 
       -169.84165400 
   
  
  
      15.11   15.13
      15.74   15.75
   
       -169.96869453 
       -169.97144395 
       -169.96961100 
   
  
  
      15.66   15.67
      16.28   16.29
   
       -170.19355693 
       -170.19365879 
       -170.19359088 
   
  
  
      15.38   15.38
      16.18   16.19
   
       -170.31217176 
       -170.31254619 
       -170.31229657 
   
  
  
      14.98   14.99
      15.73   15.75
   
       -170.37796459 
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       -170.37884168 
   
  
  
      14.60   14.61
      15.32   15.34
   
       -170.58437771 
       -170.58772636 
       -170.58549393 
   
  
  
      15.21   15.22
      15.91   15.92
   
       -170.68271483 
       -170.68361215 
       -170.68301394 
   
  
  
      15.00   15.01
      15.65   15.66
   
       -170.79460120 
       -170.79566446 
       -170.79495562 
   
  
  
      15.18   15.19
      15.82   15.84
   
       -170.94592778 
       -170.94673189 
       -170.94619582 
   
  
  
      15.74   15.75
      16.40   16.41
   
       -170.97241412 
       -170.97360857 
       -170.97281227 
   
  
  
      14.80   14.81
      15.43   15.45
   
       -170.93180769 
       -170.93223209 
       -170.93194916 
   
  
  
      14.45   14.46
      15.17   15.18
   
       -170.80183068 
       -170.80166078 
       -170.80177405 
   
  
  
       9.86    9.86
      10.61   10.62
   
       -170.96871994 
       -170.96895028 
       -170.96879672 
   
  
  
       8.08    8.09
       8.82    8.83
   
       -170.99048499 
       -170.98960017 
       -170.99019005 
   
  
  
       7.99    7.99
       8.57    8.57
   
       -170.99072527 
       -170.98957800 
       -170.99034285 
   
  
  
       7.23    7.24
       7.81    7.82
   
       -170.66244744 
       -170.65990276 
       -170.66159922 
   
  
  
       6.93    6.94
       7.51    7.52
   
       -170.95796488 
       -170.95670042 
       -170.95754339 
   
  
  
       7.11    7.11
       7.73    7.74
   
       -170.34870733 
       -170.34756709 
       -170.34832725 
   
  
  
       7.13    7.14
       7.81    7.82
   
       -170.97303265 
       -170.97171985 
       -170.97259505 
   
  
  
       8.25    8.26
       8.97    8.98
   
       -275.12334610 
       -275.11296578 
       -275.11988600 
   
  
  
       7.28    7.29
       7.96    7.97
   
       -261.30589120 
       -261.28311982 
       -261.29830074 
   
  
  
       5.91    5.92
       6.52    6.53
   
       -162.08574487 
       -162.08403715 
       -162.08517563 
   
  
  
       6.15    6.16
       6.78    6.79
   
       -168.48877012 
       -168.48170589 
       -168.48641537 
   
  
  
       5.76    5.77
       6.37    6.37
   
       -170.77685943 
       -170.78074602 
       -170.77815496 
   
  
  
       5.86    5.88
       6.44    6.46
   
       -170.97387591 
       -170.97762263 
       -170.97512482 
   
  
  
       6.05    6.06
       6.67    6.68
   
       -170.99518827 
       -170.99881102 
       -170.99639585 
   
  
  
       6.28    6.28
       6.89    6.90
   
       -170.99585536 
       -170.99897650 
       -170.99689574 
   
  
  
       5.17    5.18
       5.76    5.77
   
       -170.99198995 
       -170.99457822 
       -170.99285270 
   
  
  
       4.50    4.51
       5.11    5.11
   
       -170.99045864 
       -170.99263365 
       -170.99118364 
   
  
  
       3.94    3.95
       4.50    4.50
   
       -170.99260143 
       -170.99528532 
       -170.99349606 
   
  
  
       4.06    4.07
       4.62    4.63
   
       -170.99193461 
       -170.99412362 
       -170.99266428 
   
  
  
       4.04    4.05
       4.61    4.62
   
       -171.00542776 
       -171.00711335 
       -171.00598962 
   
  
  
       4.08    4.09
       4.64    4.66
   
       -170.99491448 
       -170.99630964 
       -170.99537954 
   
  
  
       3.98    3.99
       4.54    4.55
   
       -170.98716674 
       -170.98842653 
       -170.98758667 
   
  
  
       3.86    3.87
       4.41    4.42
   
       -170.98843095 
       -170.98961105 
       -170.98882431 
   
  
  
       3.50    3.51
       4.06    4.08
   
       -170.98930040 
       -170.99032456 
       -170.98964179 
   
  
  
       3.77    3.78
       4.36    4.37
   
       -170.23688281 
       -170.23738974 
       -170.23705179 
   
  
  
       3.91    3.91
       4.46    4.46
   
       -170.29307194 
       -170.29357676 
       -170.29324021 
   
  
  
       3.86    3.87
       4.41    4.42
   
       -170.29825324 
       -170.29873544 
       -170.29841398 
   
  
  
       3.98    3.99
       4.56    4.57
   
       -170.94718246 
       -170.94788331 
       -170.94741608 
   
  
  
       3.73    3.74
       4.30    4.31
   
       -170.98966041 
       -170.99047517 
       -170.98993200 
   
  
  
       4.47    4.48
       5.03    5.04
   
       -170.98508639 
       -170.98583233 
       -170.98533504 
   
  
  
       2.25    2.26
       2.79    2.80
   
       -170.98760533 
       -170.98835444 
       -170.98785503 
   
  
  
       1.94    1.95
       2.48    2.49
   
       -170.97757817 
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       1.90    1.91
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       -170.98908547 
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       1.90    1.90
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       -170.90297973 
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       1.89    1.90
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       -170.83022539 
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       1.79    1.79
       2.29    2.29
   
       -170.90916782 
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       1.83    1.83
       2.32    2.33
   
       -170.96858929 
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       1.94    1.95
       2.43    2.44
   
       -170.99432413 
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       1.93    1.94
       2.42    2.43
   
       -170.95894601 
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       2.01    2.01
       2.50    2.51
   
       -170.99583113 
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       1.90    1.90
       2.40    2.40
   
       -170.98066302 
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       1.94    1.94
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       -171.00049302 
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       1.98    1.99
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       -170.99914170 
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       1.87    1.87
       2.36    2.37
   
       -170.96433025 
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       2.01    2.02
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       -171.22111921 
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       2.07    2.07
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       -170.93116813 
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       2.00    2.00
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       -171.21708154 
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       1.99    1.99
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       -170.99127361 
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       2.28    2.28
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       -326.75265874 
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       2.13    2.14
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       -162.92374449 
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       2.20    2.21
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       -169.34857273 
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       2.09    2.10
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       -170.63592980 
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       2.09    2.09
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       -170.95525828 
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       2.17    2.17
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       -170.99311726 
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       2.32    2.33
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       -170.99207795 
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       2.21    2.22
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       -170.98980844 
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       2.25    2.25
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       -170.98812013 
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       2.24    2.25
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       -170.98836575 
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       2.34    2.35
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       -170.98675170 
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       2.23    2.23
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       -170.98264872 
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       2.22    2.22
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       -170.98891792 
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       2.19    2.20
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       -170.90234502 
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       2.10    2.10
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       -170.98952081 
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       2.36    2.36
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       -433.55756476 
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