vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 16 
  20:12:25 
 
 
  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 
    
   
   
           0.75396364       0.34507614       0.48348255 
           0.76123382       0.36548654       0.54898440 
           0.73457382       0.28132516       0.49172130 
           0.27315957       0.75197205       0.68108774 
           0.18953400       0.70863798       0.68272144 
           0.25103555       0.66494713       0.75733715 
           0.32977184       0.73143135       0.36162948 
           0.26005217       0.79848630       0.39551384 
           0.34332084       0.83099339       0.42432606 
           0.15224532       0.38814165       0.65624280 
           0.23689710       0.35271665       0.64057690 
           0.21857357       0.46860650       0.65713594 
           0.33103602       0.21795071       0.49625586 
           0.24333537       0.24106957       0.49913481 
           0.28605481       0.23301632       0.39438309 
           0.15140851       0.71658029       0.50594297 
           0.17185483       0.66390445       0.40353420 
           0.14095496       0.59917729       0.49380268 
           0.17031710       0.47960752       0.34209465 
           0.24241405       0.43018029       0.29276353 
           0.17905876       0.36193151       0.34099096 
           0.32228395       0.55053080       0.40597928 
           0.34428950       0.51930179       0.51537179 
           0.30109078       0.53434670       0.47209622 
           0.24290984       0.69114559       0.68972150 
           0.30971768       0.77354987       0.41584570 
           0.20061465       0.40628474       0.62641527 
           0.29058208       0.25585085       0.46404293 
           0.17325727       0.65598439       0.47650438 
           0.20667909       0.42494059       0.34829768 
           0.25107160       0.42941326       0.45800584 
           0.26041992       0.63652997       0.51806424 
           0.26223243       0.62374103       0.62778014 
           0.30686426       0.72658735       0.49796935 
           0.19052009       0.41744235       0.53271642 
           0.30724057       0.34830648       0.46776666 
   
  
  
           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
       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 
   
  
  
          0.75396364       0.34507614       0.48348255 
          0.76123382       0.36548654       0.54898440 
          0.73457382       0.28132516       0.49172130 
          0.27315957       0.75197205       0.68108774 
          0.18953400       0.70863798       0.68272144 
          0.25103555       0.66494713       0.75733715 
          0.32977184       0.73143135       0.36162948 
          0.26005217       0.79848630       0.39551384 
          0.34332084       0.83099339       0.42432606 
          0.15224532       0.38814165       0.65624280 
          0.23689710       0.35271665       0.64057690 
          0.21857357       0.46860650       0.65713594 
          0.33103602       0.21795071       0.49625586 
          0.24333537       0.24106957       0.49913481 
          0.28605481       0.23301632       0.39438309 
          0.15140851       0.71658029       0.50594297 
          0.17185483       0.66390445       0.40353420 
          0.14095496       0.59917729       0.49380268 
          0.17031710       0.47960752       0.34209465 
          0.24241405       0.43018029       0.29276353 
          0.17905876       0.36193151       0.34099096 
          0.32228395       0.55053080       0.40597928 
          0.34428950       0.51930179       0.51537179 
          0.30109078       0.53434670       0.47209622 
          0.24290984       0.69114559       0.68972150 
          0.30971768       0.77354987       0.41584570 
          0.20061465       0.40628474       0.62641527 
          0.29058208       0.25585085       0.46404293 
          0.17325727       0.65598439       0.47650438 
          0.20667909       0.42494059       0.34829768 
          0.25107160       0.42941326       0.45800584 
          0.26041992       0.63652997       0.51806424 
          0.26223243       0.62374103       0.62778014 
          0.30686426       0.72658735       0.49796935 
          0.19052009       0.41744235       0.53271642 
          0.30724057       0.34830648       0.46776666 
  
 
 
  
       1.27    1.28
       3.45    3.47
   
          6.34847707 
       5756.74818046 
      -8321.72157599 
        264.00430645 
       2564.72054280 
      -2541.99018201 
          0.00467019 
       -577.50695914 
       3504.07976474 
        654.68722458 
        654.68255438 
        654.68566785 
   
  
  
       1.53    1.53
       1.53    1.53
   
         87.99757200 
         87.98342594 
         87.99285665 
   
  
  
       1.28    1.29
       1.29    1.29
   
       -148.69784551 
       -148.71179495 
       -148.70249532 
   
  
  
       1.31    1.31
       1.31    1.31
   
       -169.32848684 
       -169.35323022 
       -169.33673464 
   
  
  
       1.41    1.41
       1.63    1.63
   
       -169.78152980 
       -169.80632194 
       -169.78979384 
   
  
  
       1.16    1.16
       3.53    3.53
   
        -71.46703356 
        -71.48510574 
        -71.47305762 
   
  
  
       1.31    1.32
       3.73    3.74
   
       -122.48406833 
       -122.49974383 
       -122.48929350