vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 16 
  19:55:17 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       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 
    
   
   
           0.69024166       0.35428373       0.49176422 
           0.70546939       0.36107333       0.55789138 
           0.68509084       0.28522123       0.48834244 
           0.29335050       0.75121287       0.64060365 
           0.21113643       0.71096617       0.65963161 
           0.27887678       0.67794998       0.73771847 
           0.30825152       0.74452517       0.35975470 
           0.24621938       0.81321906       0.41624558 
           0.33444571       0.84100882       0.42470960 
           0.19205177       0.36686909       0.65887150 
           0.26833688       0.34731659       0.59609894 
           0.25671616       0.45722854       0.63732593 
           0.32634700       0.21063485       0.48960708 
           0.24036281       0.24425021       0.50872079 
           0.26973072       0.23098773       0.39554769 
           0.16597820       0.72052366       0.52818382 
           0.17204524       0.66556828       0.41847615 
           0.15498471       0.59777332       0.51982336 
           0.16470945       0.47637999       0.38461254 
           0.22915069       0.42572614       0.30498833 
           0.17416896       0.35499145       0.38253134 
           0.31023352       0.54967250       0.39017500 
           0.34519132       0.52148049       0.50507556 
           0.30117177       0.53359290       0.46156413 
           0.26482646       0.69491554       0.66931760 
           0.29812698       0.78575209       0.41956713 
           0.22974043       0.39696852       0.61458254 
           0.28455819       0.25177841       0.46375682 
           0.17849475       0.65850770       0.49147108 
           0.19684398       0.41974794       0.36398761 
           0.25295257       0.42698124       0.45794460 
           0.26783111       0.63704849       0.51357829 
           0.28189854       0.61611817       0.61992348 
           0.30987067       0.73211853       0.49694196 
           0.19315461       0.42027276       0.53569174 
           0.30800968       0.34252907       0.46121309 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
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          19 
          20 
          21 
          22 
          23 
          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
          36 
  
 
 
  
          2        2        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.50000000       0.50000000       0.00000000 
          0.50000000       0.00000000       0.50000000 
          0.00000000       0.50000000       0.50000000 
          0.50000000       0.50000000       0.50000000 
  
  
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       81
       -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  
   
   
       200
        -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
  
  
        3
        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
      200
        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 
   
  
  
          0.69024166       0.35428373       0.49176422 
          0.70546939       0.36107333       0.55789138 
          0.68509084       0.28522123       0.48834244 
          0.29335050       0.75121287       0.64060365 
          0.21113643       0.71096617       0.65963161 
          0.27887678       0.67794998       0.73771847 
          0.30825152       0.74452517       0.35975470 
          0.24621938       0.81321906       0.41624558 
          0.33444571       0.84100882       0.42470960 
          0.19205177       0.36686909       0.65887150 
          0.26833688       0.34731659       0.59609894 
          0.25671616       0.45722854       0.63732593 
          0.32634700       0.21063485       0.48960708 
          0.24036281       0.24425021       0.50872079 
          0.26973072       0.23098773       0.39554769 
          0.16597820       0.72052366       0.52818382 
          0.17204524       0.66556828       0.41847615 
          0.15498471       0.59777332       0.51982336 
          0.16470945       0.47637999       0.38461254 
          0.22915069       0.42572614       0.30498833 
          0.17416896       0.35499145       0.38253134 
          0.31023352       0.54967250       0.39017500 
          0.34519132       0.52148049       0.50507556 
          0.30117177       0.53359290       0.46156413 
          0.26482646       0.69491554       0.66931760 
          0.29812698       0.78575209       0.41956713 
          0.22974043       0.39696852       0.61458254 
          0.28455819       0.25177841       0.46375682 
          0.17849475       0.65850770       0.49147108 
          0.19684398       0.41974794       0.36398761 
          0.25295257       0.42698124       0.45794460 
          0.26783111       0.63704849       0.51357829 
          0.28189854       0.61611817       0.61992348 
          0.30987067       0.73211853       0.49694196 
          0.19315461       0.42027276       0.53569174 
          0.30800968       0.34252907       0.46121309 
  
 
 
  
      35.52   35.56
      45.15   45.17
   
          6.34847707 
       6052.23352624 
      -8614.59921763 
        264.90711293 
       2564.72054280 
      -2541.99018201 
         -0.01204376 
       -575.97316730 
       3504.07976474 
        659.71481308 
        659.72685684 
        659.71882766 
   
  
  
      46.27   46.43
      46.27   46.43
   
         86.38335998 
         86.38364328 
         86.38345441 
   
  
  
      39.96   40.14
      39.96   40.14
   
       -147.19531277 
       -147.21192837 
       -147.20085130 
   
  
  
      40.20   40.36
      40.20   40.36
   
       -167.38181616 
       -167.40480483 
       -167.38947905 
   
  
  
      40.94   41.10
      41.69   41.85
   
       -167.82103838 
       -167.84391861 
       -167.82866512 
   
  
  
      32.10   32.25
      39.50   39.66
   
        -72.21397372 
        -72.22812635 
        -72.21869126 
   
  
  
      35.62   35.84
      40.82   41.04
   
       -122.22500929 
       -122.24127443 
       -122.23043100 
   
  
  
      34.80   34.95
      40.66   40.81
   
       -136.73048656 
       -136.74640869 
       -136.73579393 
   
  
  
      35.71   35.90
      43.03   43.22
   
       -162.51924288 
       -162.53959258 
       -162.52602611 
   
  
  
      37.79   37.96
      49.83   49.98
   
       -174.07769512 
       -174.10833481 
       -174.08790835 
   
  
  
      33.89   34.05
      44.93   45.08
   
       -181.68922388 
       -181.72699570 
       -181.70181449 
   
  
  
      29.20   29.35
      34.37   34.53
   
       -186.38314069 
       -186.42500160 
       -186.39709433 
   
  
  
      34.85   34.99
      41.69   41.81
   
       -187.86406643 
       -187.90294731 
       -187.87702672 
   
  
  
      32.18   32.39
      39.19   39.38
   
       -188.90300337 
       -188.94415011 
       -188.91671895 
   
  
  
      38.26   38.42
      45.87   46.02
   
       -189.42071567 
       -189.46215844 
       -189.43452993 
   
  
  
      35.14   35.29
      43.98   44.12
   
       -189.81286070 
       -189.85441805 
       -189.82671315 
   
  
  
      36.45   36.57
      45.78   45.89
   
       -190.17853485 
       -190.21970003 
       -190.19225658 
   
  
  
      35.73   35.86
      44.98   45.10
   
       -190.36765154 
       -190.40878383 
       -190.38136230 
   
  
  
      34.73   34.88
      44.05   44.19
   
       -190.47954122 
       -190.52064205 
       -190.49324149 
   
  
  
      34.24   34.37
      40.68   40.81
   
       -190.52255244 
       -190.56373107 
       -190.53627865 
   
  
  
      34.29   34.49
      39.16   39.36
   
       -190.52839941 
       -190.56958555 
       -190.54212812