vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 18 
  20:26:47 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
      95
       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 
    
   
   
           0.78895003       0.40292664       0.59008750 
           0.80728589       0.42906344       0.64971639 
           0.82888525       0.41197689       0.54696116 
           0.14428296       0.51949605       0.36438955 
           0.19720869       0.61566227       0.37144543 
           0.21544257       0.52957754       0.29309312 
           0.10300706       0.55489487       0.65700384 
           0.14440204       0.64326609       0.59952414 
           0.09927700       0.56017777       0.53819382 
           0.41360166       0.43675478       0.29403477 
           0.41123387       0.34594261       0.37135201 
           0.33883754       0.41536356       0.35644883 
           0.52024423       0.27404221       0.57310384 
           0.52590433       0.34964289       0.48148604 
           0.54535342       0.38661923       0.59200385 
           0.24069312       0.69447592       0.50493840 
           0.29685252       0.67028162       0.59301303 
           0.32339169       0.65955537       0.48021173 
           0.43462287       0.62104851       0.55884093 
           0.44312225       0.55799247       0.65921400 
           0.50620767       0.55274271       0.57564407 
           0.31702138       0.44986434       0.64141502 
           0.30148702       0.38149360       0.54821029 
           0.31848286       0.44870788       0.56782762 
           0.19655229       0.54282136       0.36075126 
           0.13170934       0.57165236       0.59670321 
           0.39403374       0.41478715       0.35895787 
           0.51192430       0.34339676       0.55253412 
           0.28104854       0.64922657       0.52592190 
           0.45188329       0.55718960       0.58672639 
           0.40852350       0.45968878       0.53445928 
           0.25469053       0.52918478       0.52640172 
           0.23720384       0.49629572       0.42304714 
           0.18953439       0.51671334       0.59424636 
           0.41806101       0.47512490       0.42536845 
           0.44329335       0.36467629       0.56663254 
   
  
  
           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 
  
 
 
  
          1        1        1 
         0.00000000       0.00000000       0.00000000 
         1.00000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       80
       -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  
   
   
        95
        -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
  
  
        2
        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
       95
        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 
   
  
  
          0.78895003       0.40292664       0.59008750 
          0.80728589       0.42906344       0.64971639 
          0.82888525       0.41197689       0.54696116 
          0.14428296       0.51949605       0.36438955 
          0.19720869       0.61566227       0.37144543 
          0.21544257       0.52957754       0.29309312 
          0.10300706       0.55489487       0.65700384 
          0.14440204       0.64326609       0.59952414 
          0.09927700       0.56017777       0.53819382 
          0.41360166       0.43675478       0.29403477 
          0.41123387       0.34594261       0.37135201 
          0.33883754       0.41536356       0.35644883 
          0.52024423       0.27404221       0.57310384 
          0.52590433       0.34964289       0.48148604 
          0.54535342       0.38661923       0.59200385 
          0.24069312       0.69447592       0.50493840 
          0.29685252       0.67028162       0.59301303 
          0.32339169       0.65955537       0.48021173 
          0.43462287       0.62104851       0.55884093 
          0.44312225       0.55799247       0.65921400 
          0.50620767       0.55274271       0.57564407 
          0.31702138       0.44986434       0.64141502 
          0.30148702       0.38149360       0.54821029 
          0.31848286       0.44870788       0.56782762 
          0.19655229       0.54282136       0.36075126 
          0.13170934       0.57165236       0.59670321 
          0.39403374       0.41478715       0.35895787 
          0.51192430       0.34339676       0.55253412 
          0.28104854       0.64922657       0.52592190 
          0.45188329       0.55718960       0.58672639 
          0.40852350       0.45968878       0.53445928 
          0.25469053       0.52918478       0.52640172 
          0.23720384       0.49629572       0.42304714 
          0.18953439       0.51671334       0.59424636 
          0.41806101       0.47512490       0.42536845 
          0.44329335       0.36467629       0.56663254 
  
 
 
  
       4.76    4.93
       8.43    8.61
   
          6.34847707 
       5570.92343061 
      -8135.90035472 
        264.04538646 
       2564.72054280 
      -2541.99018201 
         -0.00170295 
       -610.08086762 
       3504.07976474 
        622.14449438 
        622.14619733 
        622.14506203 
   
  
  
       5.95    5.96
       5.95    5.96
   
         79.45177914 
         79.43425433 
         79.44593754 
   
  
  
       4.99    5.00
       4.99    5.00
   
       -147.64044379 
       -147.63864307 
       -147.63984355 
   
  
  
       4.99    4.99
       4.99    4.99
   
       -169.26130210 
       -169.27465643 
       -169.26575354 
   
  
  
       5.06    5.09
       5.62    5.65
   
       -169.72762598 
       -169.74144511 
       -169.73223236 
   
  
  
       4.04    4.08
       9.14    9.20
   
        -71.14664314 
        -71.16301290 
        -71.15209972