vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 16 
  19:55:18 
 
 
  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 
    
   
   
           0.45669803       0.35187450       0.57303403 
           0.50347584       0.38097211       0.58571134 
           0.48619014       0.30187761       0.43675694 
           0.35253398       0.76645864       0.45762670 
           0.35322082       0.70412773       0.55496905 
           0.41825791       0.67608340       0.47614761 
           0.18929724       0.85750554       0.43319826 
           0.24998656       0.84249272       0.52776426 
           0.27699552       0.82740295       0.41495861 
           0.41507807       0.32846161       0.45522227 
           0.33793714       0.33049520       0.38383208 
           0.36658368       0.43723611       0.44230706 
           0.25049217       0.20405152       0.40246976 
           0.29395308       0.23849901       0.50775964 
           0.20231876       0.23042551       0.50618853 
           0.28026071       0.72619385       0.61651696 
           0.21004759       0.64784445       0.63282962 
           0.29971777       0.60325202       0.62073551 
           0.18954279       0.46129345       0.62470535 
           0.14243855       0.39573588       0.53927173 
           0.20593741       0.33875535       0.61674185 
           0.16545378       0.54096189       0.46021218 
           0.25083297       0.52819868       0.40191550 
           0.22049844       0.53008067       0.46365262 
           0.36710414       0.70101805       0.48392603 
           0.23243552       0.81945582       0.46015949 
           0.37224623       0.36699327       0.42913969 
           0.24783126       0.24504228       0.46491578 
           0.26208134       0.65699262       0.61264600 
           0.18343551       0.39864189       0.58770467 
           0.25208425       0.42060589       0.51172412 
           0.25273786       0.64063135       0.49252198 
           0.32477272       0.63942317       0.43798573 
           0.20886454       0.72867643       0.45867084 
           0.32656109       0.42131675       0.55885847 
           0.24266596       0.33611665       0.43345948 
   
  
  
           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        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 
   
  
  
          0.45669803       0.35187450       0.57303403 
          0.50347584       0.38097211       0.58571134 
          0.48619014       0.30187761       0.43675694 
          0.35253398       0.76645864       0.45762670 
          0.35322082       0.70412773       0.55496905 
          0.41825791       0.67608340       0.47614761 
          0.18929724       0.85750554       0.43319826 
          0.24998656       0.84249272       0.52776426 
          0.27699552       0.82740295       0.41495861 
          0.41507807       0.32846161       0.45522227 
          0.33793714       0.33049520       0.38383208 
          0.36658368       0.43723611       0.44230706 
          0.25049217       0.20405152       0.40246976 
          0.29395308       0.23849901       0.50775964 
          0.20231876       0.23042551       0.50618853 
          0.28026071       0.72619385       0.61651696 
          0.21004759       0.64784445       0.63282962 
          0.29971777       0.60325202       0.62073551 
          0.18954279       0.46129345       0.62470535 
          0.14243855       0.39573588       0.53927173 
          0.20593741       0.33875535       0.61674185 
          0.16545378       0.54096189       0.46021218 
          0.25083297       0.52819868       0.40191550 
          0.22049844       0.53008067       0.46365262 
          0.36710414       0.70101805       0.48392603 
          0.23243552       0.81945582       0.46015949 
          0.37224623       0.36699327       0.42913969 
          0.24783126       0.24504228       0.46491578 
          0.26208134       0.65699262       0.61264600 
          0.18343551       0.39864189       0.58770467 
          0.25208425       0.42060589       0.51172412 
          0.25273786       0.64063135       0.49252198 
          0.32477272       0.63942317       0.43798573 
          0.20886454       0.72867643       0.45867084 
          0.32656109       0.42131675       0.55885847 
          0.24266596       0.33611665       0.43345948 
  
 
 
  
      35.67   35.70
      45.37   45.38
   
          6.34847707 
       6477.79981684 
      -9061.57382174 
        263.55068817 
       2564.72054280 
      -2541.99018201 
          0.00489054 
       -558.60651941 
       3504.07976474 
        654.33365700 
        654.32876646 
        654.33202682 
   
  
  
      47.10   47.20
      47.10   47.21
   
         92.79302566 
         92.80360339 
         92.79655157 
   
  
  
      40.94   41.10
      40.94   41.10
   
       -139.46824312 
       -139.47538478 
       -139.47062367 
   
  
  
      39.66   39.82
      39.67   39.84
   
       -159.85448110 
       -159.86096205 
       -159.85664141 
   
  
  
      40.73   40.87
      41.66   41.80
   
       -160.26681509 
       -160.27337926 
       -160.26900315 
   
  
  
      33.43   33.59
      42.13   42.27
   
        -69.00133075 
        -68.99544138 
        -68.99936763 
   
  
  
      35.67   35.80
      42.56   42.69
   
       -106.24688468 
       -106.26342320 
       -106.25239752 
   
  
  
      34.34   34.54
      40.31   40.51
   
       -121.87244779 
       -121.87977360 
       -121.87488973 
   
  
  
      36.05   36.20
      42.02   42.17
   
       -143.90933753 
       -143.91695813 
       -143.91187773 
   
  
  
      37.40   37.52
      47.85   47.96
   
       -155.88566810 
       -155.89902745 
       -155.89012121 
   
  
  
      36.82   37.05
      48.64   48.87
   
       -164.83487221 
       -164.84772798 
       -164.83915746 
   
  
  
      34.20   34.38
      45.14   45.30
   
       -172.72256042 
       -172.73595214 
       -172.72702433 
   
  
  
      34.06   34.24
      43.71   43.89
   
       -177.03766630 
       -177.05174587 
       -177.04235949 
   
  
  
      35.64   35.87
      43.37   43.59
   
       -178.81596179 
       -178.82960963 
       -178.82051107 
   
  
  
      34.38   34.57
      40.61   40.80
   
       -179.93986986 
       -179.95347233 
       -179.94440402 
   
  
  
      35.26   35.47
      41.67   41.87
   
       -180.55222084 
       -180.56611170 
       -180.55685113 
   
  
  
      34.17   34.36
      40.68   40.88
   
       -181.00210750 
       -181.01648064 
       -181.00689855 
   
  
  
      36.32   36.45
      44.67   44.79
   
       -181.19878593 
       -181.21325038 
       -181.20360741 
   
  
  
      34.87   35.05
      44.67   44.84
   
       -181.31452039 
       -181.32896964 
       -181.31933681 
   
  
  
      37.06   37.24
      47.02   47.18
   
       -181.35637091 
       -181.37094210 
       -181.36122797