vasp 
  6.1.1  
  19Jun20 (build Jun 25 2020 01:26:52) complex                          parallel 
  Lin64 
  2022 01 18 
  22:56:27 
 
 
   Si48N64 F atom CPU *28 (VASP)
       0
   Normal
   Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
       2
        0.00001000
       -0.02000000
     100
       2
       1
      400.00000000
        0.75000000      1.11000000      0.72000000
   F  
       1
        0.20000000
       1
   F  
   F  
   F  
      28
   Normal (blocked Davidson)
      60
       1
        0.00001000
       1
 
 
  
   
           7.38329000       0.00000000       0.00000000 
          -3.69164500       6.39411670       0.00000000 
           0.00000000       0.00000000      39.70672000 
   
      1874.53907886 
   
           0.13544098       0.07819688       0.00000000 
           0.00000000       0.15639377       0.00000000 
           0.00000000       0.00000000       0.02518465 
   
  
  
          0.05372078       0.42902064       0.81920741 
          0.57097936       0.62470013       0.81920741 
          0.37529987       0.94627922       0.81920741 
          0.01309520       0.41809945       0.65490301 
          0.58190053       0.59499578       0.65490302 
          0.40500426       0.98690477       0.65490302 
          0.01184874       0.41705778       0.49922939 
          0.58294255       0.59479090       0.49922938 
          0.40520905       0.98815107       0.49922938 
          0.00577485       0.41073429       0.34341567 
          0.58926735       0.59504313       0.34341582 
          0.40495936       0.99422476       0.34341586 
          0.42169617       0.02557556       0.73322811 
          0.97442444       0.39612060       0.73322811 
          0.60387939       0.57830383       0.73322811 
          0.41728536       0.01179420       0.57699354 
          0.98820566       0.40549094       0.57699354 
          0.59450857       0.58271463       0.57699354 
          0.41628898       0.01110129       0.42144528 
          0.98889992       0.40518681       0.42144552 
          0.59481455       0.58371346       0.42144523 
          0.38082455       0.98543214       0.26248453 
          0.01456795       0.39539241       0.26248455 
          0.60460778       0.61917540       0.26248459 
          0.99999991       0.00000021       0.68470221 
          0.99998498       0.00000904       0.51532618 
          0.00000157       0.00000013       0.34591277 
          0.00002013       0.00000713       0.17353762 
          0.00000000       0.00000000       0.76913735 
          0.99999688       0.00000296       0.60089715 
          0.99998045       0.00000962       0.42907734 
          0.00000507       0.00000176       0.26248461 
          0.64274279       0.97580267       0.77935451 
          0.02419733       0.66694013       0.77935451 
          0.33305987       0.35725721       0.77935451 
          0.58975576       0.96895641       0.61167011 
          0.03104415       0.62079895       0.61167028 
          0.37920098       0.41024507       0.61167027 
          0.59055977       0.97056416       0.45511100 
          0.02943638       0.61999670       0.45511149 
          0.38000432       0.40944015       0.45511111 
          0.61284861       0.98341179       0.29635505 
          0.01658562       0.62943448       0.29635475 
          0.37056398       0.38715001       0.29635472 
          0.96858753       0.59610039       0.69115142 
          0.40389957       0.37248713       0.69115141 
          0.62751287       0.03141245       0.69115141 
          0.96995972       0.59048652       0.53326790 
          0.40951298       0.37947285       0.53326782 
          0.62052764       0.03004004       0.53326784 
          0.97271029       0.59256873       0.37649631 
          0.40742808       0.38014306       0.37649658 
          0.61985041       0.02728500       0.37649643 
          0.02110260       0.70326311       0.20392378 
          0.29673702       0.31783982       0.20392368 
          0.68216092       0.97889775       0.20392388 
          0.00000001       0.99999997       0.72646176 
          0.00000606       0.99999548       0.55782343 
          0.00001308       0.99999513       0.38713788 
          0.99999003       0.99999668       0.21928532 
          0.00000000       0.00000000       0.81293345 
          0.00000057       0.99999930       0.64271091 
          0.00003025       0.99998404       0.47119135 
          0.99998850       0.99999700       0.30429986 
          0.71702117       0.96274070       0.83023078 
          0.03725930       0.75428047       0.83023078 
          0.24571953       0.28297883       0.83023078 
          0.70933310       0.91385865       0.65241559 
          0.08614161       0.79547410       0.65241562 
          0.20452550       0.29066696       0.65241560 
          0.71836059       0.91494835       0.49484500 
          0.08504973       0.80341473       0.49484701 
          0.19658727       0.28163801       0.49484577 
          0.70719708       0.91034741       0.33770418 
          0.08965691       0.79685108       0.33770334 
          0.20314791       0.29280425       0.33770340 
          0.92604826       0.70787400       0.73421003 
          0.29212599       0.21817426       0.73421003 
          0.78182574       0.07395173       0.73421003 
          0.91386965       0.71330120       0.57381333 
          0.28669732       0.20056830       0.57381325 
          0.79943655       0.08612728       0.57381287 
          0.91159590       0.70961617       0.41642397 
          0.29038579       0.20197703       0.41642396 
          0.79800972       0.08841355       0.41642293 
          0.92393919       0.69932513       0.25267671 
          0.30067603       0.22461467       0.25267650 
          0.77538588       0.07606046       0.25267697 
          0.83916333       0.32335540       0.77955421 
          0.67664460       0.51580793       0.77955421 
          0.48419207       0.16083667       0.77955421 
          0.81040879       0.28778858       0.61830145 
          0.71221117       0.52261997       0.61830151 
          0.47737997       0.18959118       0.61830150 
          0.81002412       0.28702464       0.46261971 
          0.71297540       0.52299980       0.46261953 
          0.47700042       0.18997575       0.46261967 
          0.82209367       0.30202153       0.30369911 
          0.69797697       0.52007116       0.30369926 
          0.47992793       0.17790508       0.30369919 
          0.29337882       0.81493574       0.69704075 
          0.18506426       0.47844307       0.69704074 
          0.52155693       0.70662119       0.69704074 
          0.28683117       0.80984849       0.54038889 
          0.19015147       0.47698246       0.54038886 
          0.52301762       0.71316897       0.54038882 
          0.28872072       0.81145068       0.38446134 
          0.18854715       0.47727246       0.38446114 
          0.52272552       0.71127556       0.38446121 
          0.35408090       0.86745725       0.21426320 
          0.13254274       0.48662354       0.21426321 
          0.51337664       0.64591935       0.21426325 
          0.21133186       0.27905574       0.95839297 
  
 
 
          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 
         37 
         38 
         39 
         40 
         41 
         42 
         43 
         44 
         45 
         46 
         47 
         48 
         49 
         50 
         51 
         52 
         53 
         54 
         55 
         56 
         57 
         58 
         59 
         60 
         61 
         62 
         63 
         64 
         65 
         66 
         67 
         68 
         69 
         70 
         71 
         72 
         73 
         74 
         75 
         76 
         77 
         78 
         79 
         80 
         81 
         82 
         83 
         84 
         85 
         86 
         87 
         88 
         89 
         90 
         91 
         92 
         93 
         94 
         95 
         96 
         97 
         98 
         99 
        100 
        101 
        102 
        103 
        104 
        105 
        106 
        107 
        108 
        109 
        110 
        111 
        112 
        113 
 
 
  
          2        2        1 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.50000000       0.50000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   Si48N64 F atom CPU *28 (VASP)
    F  
  
  
   normal
       400.00000000
       627.11200000
         0.00001000
       38
       11
      336
       -1
       -1
       519.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     F  
          0.00000000      0.00000000      0.00000000
      -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      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      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      1.00000000      1.00000000
         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
        60
        -5
         2
        400.00000000
    
      T  
      F  
           0.00100000
           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
   
  
  
       36
       36
      196
       72
       72
      392
    F  
  
  
      100
        2
        0
        2
         0.00000000
        -0.02000000
        1
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
      100
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         0.75000000      1.11000000      0.72000000
      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
  
  
       28
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        14.00100000     28.08500000     18.99800000
         0.00000000      0.00000000      0.00000000
         1.00000000      1.00000000      1.00000000
    T  
  
   T  
   F  
       0
   F  
       0
  
   --
        1
    F  
   
    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
         9.95330484
         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
       60
        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
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
       113 
         3 
  
   ion
   element
   atomtype
   
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    F    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      64N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
      48Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       1F      18.99800000      7.00000000  PAW_PBE F 08Apr2002                   
   
  
 
 
  
   
           7.38329000       0.00000000       0.00000000 
          -3.69164500       6.39411670       0.00000000 
           0.00000000       0.00000000      39.70672000 
   
      1874.53907886 
   
           0.13544098       0.07819688       0.00000000 
           0.00000000       0.15639377       0.00000000 
           0.00000000       0.00000000       0.02518465 
   
  
  
          0.05372078       0.42902064       0.81920741 
          0.57097936       0.62470013       0.81920741 
          0.37529987       0.94627922       0.81920741 
          0.01309520       0.41809945       0.65490301 
          0.58190053       0.59499578       0.65490302 
          0.40500426       0.98690477       0.65490302 
          0.01184874       0.41705778       0.49922939 
          0.58294255       0.59479090       0.49922938 
          0.40520905       0.98815107       0.49922938 
          0.00577485       0.41073429       0.34341567 
          0.58926735       0.59504313       0.34341582 
          0.40495936       0.99422476       0.34341586 
          0.42169617       0.02557556       0.73322811 
          0.97442444       0.39612060       0.73322811 
          0.60387939       0.57830383       0.73322811 
          0.41728536       0.01179420       0.57699354 
          0.98820566       0.40549094       0.57699354 
          0.59450857       0.58271463       0.57699354 
          0.41628898       0.01110129       0.42144528 
          0.98889992       0.40518681       0.42144552 
          0.59481455       0.58371346       0.42144523 
          0.38082455       0.98543214       0.26248453 
          0.01456795       0.39539241       0.26248455 
          0.60460778       0.61917540       0.26248459 
          0.99999991       0.00000021       0.68470221 
          0.99998498       0.00000904       0.51532618 
          0.00000157       0.00000013       0.34591277 
          0.00002013       0.00000713       0.17353762 
          0.00000000       0.00000000       0.76913735 
          0.99999688       0.00000296       0.60089715 
          0.99998045       0.00000962       0.42907734 
          0.00000507       0.00000176       0.26248461 
          0.64274279       0.97580267       0.77935451 
          0.02419733       0.66694013       0.77935451 
          0.33305987       0.35725721       0.77935451 
          0.58975576       0.96895641       0.61167011 
          0.03104415       0.62079895       0.61167028 
          0.37920098       0.41024507       0.61167027 
          0.59055977       0.97056416       0.45511100 
          0.02943638       0.61999670       0.45511149 
          0.38000432       0.40944015       0.45511111 
          0.61284861       0.98341179       0.29635505 
          0.01658562       0.62943448       0.29635475 
          0.37056398       0.38715001       0.29635472 
          0.96858753       0.59610039       0.69115142 
          0.40389957       0.37248713       0.69115141 
          0.62751287       0.03141245       0.69115141 
          0.96995972       0.59048652       0.53326790 
          0.40951298       0.37947285       0.53326782 
          0.62052764       0.03004004       0.53326784 
          0.97271029       0.59256873       0.37649631 
          0.40742808       0.38014306       0.37649658 
          0.61985041       0.02728500       0.37649643 
          0.02110260       0.70326311       0.20392378 
          0.29673702       0.31783982       0.20392368 
          0.68216092       0.97889775       0.20392388 
          0.00000001       0.99999997       0.72646176 
          0.00000606       0.99999548       0.55782343 
          0.00001308       0.99999513       0.38713788 
          0.99999003       0.99999668       0.21928532 
          0.00000000       0.00000000       0.81293345 
          0.00000057       0.99999930       0.64271091 
          0.00003025       0.99998404       0.47119135 
          0.99998850       0.99999700       0.30429986 
          0.71702117       0.96274070       0.83023078 
          0.03725930       0.75428047       0.83023078 
          0.24571953       0.28297883       0.83023078 
          0.70933310       0.91385865       0.65241559 
          0.08614161       0.79547410       0.65241562 
          0.20452550       0.29066696       0.65241560 
          0.71836059       0.91494835       0.49484500 
          0.08504973       0.80341473       0.49484701 
          0.19658727       0.28163801       0.49484577 
          0.70719708       0.91034741       0.33770418 
          0.08965691       0.79685108       0.33770334 
          0.20314791       0.29280425       0.33770340 
          0.92604826       0.70787400       0.73421003 
          0.29212599       0.21817426       0.73421003 
          0.78182574       0.07395173       0.73421003 
          0.91386965       0.71330120       0.57381333 
          0.28669732       0.20056830       0.57381325 
          0.79943655       0.08612728       0.57381287 
          0.91159590       0.70961617       0.41642397 
          0.29038579       0.20197703       0.41642396 
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       -109.21116024      -0.22573696      -0.01533646 
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      -657.16653245 
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