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 
    
   
   
           0.35020068       0.36395483       0.59364703 
           0.40086321       0.37939789       0.59596845 
           0.40476934       0.30465453       0.42405082 
           0.36892978       0.76281082       0.39551915 
           0.40116556       0.70343988       0.48991523 
           0.41624746       0.66304456       0.37970726 
           0.16726768       0.84822607       0.48127950 
           0.24146699       0.83531372       0.54631725 
           0.24609042       0.83485750       0.42683798 
           0.47640385       0.32351257       0.35461946 
           0.39455452       0.31916180       0.30626106 
           0.41770186       0.41174117       0.37490203 
           0.21928911       0.22372798       0.41057607 
           0.28561856       0.23991562       0.48972002 
           0.20066865       0.23295848       0.52694112 
           0.31994267       0.72362111       0.62345090 
           0.25926315       0.64911744       0.66635841 
           0.33735434       0.60730892       0.62760277 
           0.20461745       0.46009018       0.69033523 
           0.14497151       0.39123708       0.63536349 
           0.22203100       0.34513012       0.67441656 
           0.16103108       0.54890129       0.50095697 
           0.21347129       0.52543575       0.40916092 
           0.21345814       0.53612080       0.48196537 
           0.37917493       0.69586713       0.42283754 
           0.21580603       0.81385476       0.48469222 
           0.42348109       0.33972329       0.36489591 
           0.23353944       0.25704205       0.47301981 
           0.29799392       0.65686807       0.61477825 
           0.19877454       0.40399513       0.64372330 
           0.23903757       0.42954292       0.53455289 
           0.26088167       0.64168623       0.50099923 
           0.32031410       0.64277406       0.42394053 
           0.20382043       0.72045474       0.48353456 
           0.32412587       0.43890463       0.55363674 
           0.22624150       0.35080143       0.45975569 
   
  
  
           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 
   
  
  
          0.35020068       0.36395483       0.59364703 
          0.40086321       0.37939789       0.59596845 
          0.40476934       0.30465453       0.42405082 
          0.36892978       0.76281082       0.39551915 
          0.40116556       0.70343988       0.48991523 
          0.41624746       0.66304456       0.37970726 
          0.16726768       0.84822607       0.48127950 
          0.24146699       0.83531372       0.54631725 
          0.24609042       0.83485750       0.42683798 
          0.47640385       0.32351257       0.35461946 
          0.39455452       0.31916180       0.30626106 
          0.41770186       0.41174117       0.37490203 
          0.21928911       0.22372798       0.41057607 
          0.28561856       0.23991562       0.48972002 
          0.20066865       0.23295848       0.52694112 
          0.31994267       0.72362111       0.62345090 
          0.25926315       0.64911744       0.66635841 
          0.33735434       0.60730892       0.62760277 
          0.20461745       0.46009018       0.69033523 
          0.14497151       0.39123708       0.63536349 
          0.22203100       0.34513012       0.67441656 
          0.16103108       0.54890129       0.50095697 
          0.21347129       0.52543575       0.40916092 
          0.21345814       0.53612080       0.48196537 
          0.37917493       0.69586713       0.42283754 
          0.21580603       0.81385476       0.48469222 
          0.42348109       0.33972329       0.36489591 
          0.23353944       0.25704205       0.47301981 
          0.29799392       0.65686807       0.61477825 
          0.19877454       0.40399513       0.64372330 
          0.23903757       0.42954292       0.53455289 
          0.26088167       0.64168623       0.50099923 
          0.32031410       0.64277406       0.42394053 
          0.20382043       0.72045474       0.48353456 
          0.32412587       0.43890463       0.55363674 
          0.22624150       0.35080143       0.45975569 
  
 
 
  
       1.32    1.34
       3.50    3.52
   
          6.34847707 
       6317.03859385 
      -8884.71495497 
        264.06056275 
       2564.72054280 
      -2541.99018201 
          0.05553728 
       -577.70698907 
       3504.07976474 
        651.89135244 
        651.83581516 
        651.87284001 
   
  
  
       1.55    1.55
       1.55    1.56
   
         84.18889780 
         84.17332454 
         84.18370672 
   
  
  
       1.36    1.37
       1.36    1.37
   
       -150.38695774 
       -150.39275565 
       -150.38889038 
   
  
  
       1.29    1.30
       1.29    1.30
   
       -169.55161570 
       -169.55875049 
       -169.55399396 
   
  
  
       1.37    1.38
       1.64    1.65
   
       -169.96548582 
       -169.97358204 
       -169.96818456 
   
  
  
       1.20    1.21
       3.48    3.49
   
        -69.51058534 
        -69.52365305 
        -69.51494124 
   
  
  
       1.25    1.26
       3.55    3.55
   
       -118.49558444 
       -118.50150680 
       -118.49755856