vasp 
  6.1.1  
  19Jun20 (build Jun 25 2020 02:42:34) complex                          parallel 
  Lin64 
  2022 01 18 
  19:38:44 
 
 
   Si60N80 F atom  (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
   Auto
       1
        0.20000000
       1
   F  
   F  
       4
   Normal (blocked Davidson)
      60
       1
        0.00001000
       1
 
 
  
   
          15.11700000       0.00000000       0.00000000 
          -3.77925000       6.54585301       0.00000000 
           0.00000000       0.00000000      29.42750000 
   
      2911.95882824 
   
           0.06615069       0.03819212       0.00000000 
           0.00000000       0.15276848       0.00000000 
           0.00000000       0.00000000       0.03398182 
   
  
  
          0.01480000       0.33020000       0.67159545 
          0.33490000       0.69940000       0.67159545 
          0.15030000       0.97040000       0.67159545 
          0.48520000       0.66980000       0.32840455 
          0.16510000       0.30060000       0.32840455 
          0.34970000       0.02960000       0.32840455 
          0.01480000       0.33020000       0.57354091 
          0.33490000       0.69940000       0.57354091 
          0.15030000       0.97040000       0.57354091 
          0.48520000       0.66980000       0.42645909 
          0.16510000       0.30060000       0.42645909 
          0.34970000       0.02960000       0.42645909 
          0.01480000       0.33020000       0.47548636 
          0.33490000       0.69940000       0.47548636 
          0.15030000       0.97040000       0.47548636 
          0.48520000       0.66980000       0.52451364 
          0.16510000       0.30060000       0.52451364 
          0.34970000       0.02960000       0.52451364 
          0.01480000       0.33020000       0.37743182 
          0.33490000       0.69940000       0.37743182 
          0.15030000       0.97040000       0.37743182 
          0.48520000       0.66980000       0.62256818 
          0.16510000       0.30060000       0.62256818 
          0.34970000       0.02960000       0.62256818 
          0.01480000       0.33020000       0.27937728 
          0.33490000       0.69940000       0.27937728 
          0.15030000       0.97040000       0.27937728 
          0.48520000       0.66980000       0.72062272 
          0.16510000       0.30060000       0.72062272 
          0.34970000       0.02960000       0.72062272 
          0.16666667       0.66666667       0.32840455 
          0.33333333       0.33333333       0.67159545 
          0.16666667       0.66666667       0.42645909 
          0.33333333       0.33333333       0.57354091 
          0.16666667       0.66666667       0.52451364 
          0.33333333       0.33333333       0.47548636 
          0.16666667       0.66666667       0.62256818 
          0.33333333       0.33333333       0.37743182 
          0.16666667       0.66666667       0.72062272 
          0.33333333       0.33333333       0.27937728 
          0.51480000       0.33020000       0.67159545 
          0.83490000       0.69940000       0.67159545 
          0.65030000       0.97040000       0.67159545 
          0.98520000       0.66980000       0.32840455 
          0.66510000       0.30060000       0.32840455 
          0.84970000       0.02960000       0.32840455 
          0.51480000       0.33020000       0.57354091 
          0.83490000       0.69940000       0.57354091 
          0.65030000       0.97040000       0.57354091 
          0.98520000       0.66980000       0.42645909 
          0.66510000       0.30060000       0.42645909 
          0.84970000       0.02960000       0.42645909 
          0.51480000       0.33020000       0.47548636 
          0.83490000       0.69940000       0.47548636 
          0.65030000       0.97040000       0.47548636 
          0.98520000       0.66980000       0.52451364 
          0.66510000       0.30060000       0.52451364 
          0.84970000       0.02960000       0.52451364 
          0.51480000       0.33020000       0.37743182 
          0.83490000       0.69940000       0.37743182 
          0.65030000       0.97040000       0.37743182 
          0.98520000       0.66980000       0.62256818 
          0.66510000       0.30060000       0.62256818 
          0.84970000       0.02960000       0.62256818 
          0.51480000       0.33020000       0.27937728 
          0.83490000       0.69940000       0.27937728 
          0.65030000       0.97040000       0.27937728 
          0.98520000       0.66980000       0.72062272 
          0.66510000       0.30060000       0.72062272 
          0.84970000       0.02960000       0.72062272 
          0.66666667       0.66666667       0.32840455 
          0.83333333       0.33333333       0.67159545 
          0.66666667       0.66666667       0.42645909 
          0.83333333       0.33333333       0.57354091 
          0.66666667       0.66666667       0.52451364 
          0.83333333       0.33333333       0.47548636 
          0.66666667       0.66666667       0.62256818 
          0.83333333       0.33333333       0.37743182 
          0.66666667       0.66666667       0.72062272 
          0.83333333       0.33333333       0.27937728 
          0.38375000       0.17390000       0.67159545 
          0.41305000       0.59360000       0.67159545 
          0.20320000       0.23250000       0.67159545 
          0.11625000       0.82610000       0.32840455 
          0.08695000       0.40640000       0.32840455 
          0.29680000       0.76750000       0.32840455 
          0.38375000       0.17390000       0.57354091 
          0.41305000       0.59360000       0.57354091 
          0.20320000       0.23250000       0.57354091 
          0.11625000       0.82610000       0.42645909 
          0.08695000       0.40640000       0.42645909 
          0.29680000       0.76750000       0.42645909 
          0.38375000       0.17390000       0.47548636 
          0.41305000       0.59360000       0.47548636 
          0.20320000       0.23250000       0.47548636 
          0.11625000       0.82610000       0.52451364 
          0.08695000       0.40640000       0.52451364 
          0.29680000       0.76750000       0.52451364 
          0.38375000       0.17390000       0.37743182 
          0.41305000       0.59360000       0.37743182 
          0.20320000       0.23250000       0.37743182 
          0.11625000       0.82610000       0.62256818 
          0.08695000       0.40640000       0.62256818 
          0.29680000       0.76750000       0.62256818 
          0.38375000       0.17390000       0.27937728 
          0.41305000       0.59360000       0.27937728 
          0.20320000       0.23250000       0.27937728 
          0.11625000       0.82610000       0.72062272 
          0.08695000       0.40640000       0.72062272 
          0.29680000       0.76750000       0.72062272 
          0.88375000       0.17390000       0.67159545 
          0.91305000       0.59360000       0.67159545 
          0.70320000       0.23250000       0.67159545 
          0.61625000       0.82610000       0.32840455 
          0.58695000       0.40640000       0.32840455 
          0.79680000       0.76750000       0.32840455 
          0.88375000       0.17390000       0.57354091 
          0.91305000       0.59360000       0.57354091 
          0.70320000       0.23250000       0.57354091 
          0.61625000       0.82610000       0.42645909 
          0.58695000       0.40640000       0.42645909 
          0.79680000       0.76750000       0.42645909 
          0.88375000       0.17390000       0.47548636 
          0.91305000       0.59360000       0.47548636 
          0.70320000       0.23250000       0.47548636 
          0.61625000       0.82610000       0.52451364 
          0.58695000       0.40640000       0.52451364 
          0.79680000       0.76750000       0.52451364 
          0.88375000       0.17390000       0.37743182 
          0.91305000       0.59360000       0.37743182 
          0.70320000       0.23250000       0.37743182 
          0.61625000       0.82610000       0.62256818 
          0.58695000       0.40640000       0.62256818 
          0.79680000       0.76750000       0.62256818 
          0.88375000       0.17390000       0.27937728 
          0.91305000       0.59360000       0.27937728 
          0.70320000       0.23250000       0.27937728 
          0.61625000       0.82610000       0.72062272 
          0.58695000       0.40640000       0.72062272 
          0.79680000       0.76750000       0.72062272 
          0.58916732       0.40124333       0.92865526 
  
 
 
          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 
        114 
        115 
        116 
        117 
        118 
        119 
        120 
        121 
        122 
        123 
        124 
        125 
        126 
        127 
        128 
        129 
        130 
        131 
        132 
        133 
        134 
        135 
        136 
        137 
        138 
        139 
        140 
        141 
 
 
  
          1        2        1 
         0.00000000       0.00000000       0.00000000 
         1.00000000       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 
          0.00000000       0.50000000       0.00000000 
  
  
          0.50000000 
          0.50000000 
  
 
 
  
   Si60N80 F atom  (VASP)
    F  
  
  
   normal
       400.00000000
       627.11200000
         0.00001000
       38
       11
      396
       -1
       -1
       647.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -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      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
   
  
  
       80
       40
      144
      160
       80
      288
    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
  
  
        4
        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  
        -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
        12.39131416
         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  
  
 
 
       141 
         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
    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
    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
   
      80N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
      60Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       1F      18.99800000      7.00000000  PAW_PBE F 08Apr2002                   
   
  
 
 
  
   
          15.11700000       0.00000000       0.00000000 
          -3.77925000       6.54585301       0.00000000 
           0.00000000       0.00000000      29.42750000 
   
      2911.95882824 
   
           0.06615069       0.03819212       0.00000000 
           0.00000000       0.15276848       0.00000000 
           0.00000000       0.00000000       0.03398182 
   
  
  
          0.01480000       0.33020000       0.67159545 
          0.33490000       0.69940000       0.67159545 
          0.15030000       0.97040000       0.67159545 
          0.48520000       0.66980000       0.32840455 
          0.16510000       0.30060000       0.32840455 
          0.34970000       0.02960000       0.32840455 
          0.01480000       0.33020000       0.57354091 
          0.33490000       0.69940000       0.57354091 
          0.15030000       0.97040000       0.57354091 
          0.48520000       0.66980000       0.42645909 
          0.16510000       0.30060000       0.42645909 
          0.34970000       0.02960000       0.42645909 
          0.01480000       0.33020000       0.47548636 
          0.33490000       0.69940000       0.47548636 
          0.15030000       0.97040000       0.47548636 
          0.48520000       0.66980000       0.52451364 
          0.16510000       0.30060000       0.52451364 
          0.34970000       0.02960000       0.52451364 
          0.01480000       0.33020000       0.37743182 
          0.33490000       0.69940000       0.37743182 
          0.15030000       0.97040000       0.37743182 
          0.48520000       0.66980000       0.62256818 
          0.16510000       0.30060000       0.62256818 
          0.34970000       0.02960000       0.62256818 
          0.01480000       0.33020000       0.27937728 
          0.33490000       0.69940000       0.27937728 
          0.15030000       0.97040000       0.27937728 
          0.48520000       0.66980000       0.72062272 
          0.16510000       0.30060000       0.72062272 
          0.34970000       0.02960000       0.72062272 
          0.16666667       0.66666667       0.32840455 
          0.33333333       0.33333333       0.67159545 
          0.16666667       0.66666667       0.42645909 
          0.33333333       0.33333333       0.57354091 
          0.16666667       0.66666667       0.52451364 
          0.33333333       0.33333333       0.47548636 
          0.16666667       0.66666667       0.62256818 
          0.33333333       0.33333333       0.37743182 
          0.16666667       0.66666667       0.72062272 
          0.33333333       0.33333333       0.27937728 
          0.51480000       0.33020000       0.67159545 
          0.83490000       0.69940000       0.67159545 
          0.65030000       0.97040000       0.67159545 
          0.98520000       0.66980000       0.32840455 
          0.66510000       0.30060000       0.32840455 
          0.84970000       0.02960000       0.32840455 
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