vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 10 09 
  22:24:23 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       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 
    
   
   
           0.38902166       0.40266687       0.57999215 
           0.40491650       0.45546089       0.61332034 
           0.40277952       0.41223563       0.52613848 
           0.27954861       0.77476061       0.67187915 
           0.19967058       0.72152016       0.66156173 
           0.26272504       0.67416762       0.73062787 
           0.35128829       0.80542362       0.35955219 
           0.27425041       0.85838329       0.38590475 
           0.35028150       0.89744371       0.43210376 
           0.19525235       0.39139174       0.62992966 
           0.33469808       0.37854454       0.62353243 
           0.25454122       0.48834416       0.62441067 
           0.36641565       0.26142708       0.38715760 
           0.28445286       0.26667632       0.43189954 
           0.29890324       0.29432473       0.31740145 
           0.16392056       0.75581719       0.48858863 
           0.18766887       0.72216807       0.38127544 
           0.16039978       0.64255228       0.45898098 
           0.18449673       0.52746014       0.33229634 
           0.25080726       0.48995547       0.26484835 
           0.19380676       0.41332501       0.31079111 
           0.33786496       0.61449396       0.36994852 
           0.36808707       0.58299120       0.46924788 
           0.32343585       0.59901643       0.43201372 
           0.25394706       0.71024831       0.66850958 
           0.32330585       0.83803017       0.41252473 
           0.23119981       0.42985112       0.59410118 
           0.31947096       0.29816902       0.38550426 
           0.18936505       0.70349074       0.45150872 
           0.22113739       0.47469906       0.32393311 
           0.27501901       0.46399386       0.42473070 
           0.27716054       0.68736189       0.49206130 
           0.27957159       0.65768254       0.59759986 
           0.31780413       0.78270107       0.48800303 
           0.22234698       0.43073767       0.50357637 
           0.33304382       0.38756137       0.41088701 
   
  
  
           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
       63
       -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
   
   
         1
     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
           0.00000004
           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 
   
  
  
          0.38902166       0.40266687       0.57999215 
          0.40491650       0.45546089       0.61332034 
          0.40277952       0.41223563       0.52613848 
          0.27954861       0.77476061       0.67187915 
          0.19967058       0.72152016       0.66156173 
          0.26272504       0.67416762       0.73062787 
          0.35128829       0.80542362       0.35955219 
          0.27425041       0.85838329       0.38590475 
          0.35028150       0.89744371       0.43210376 
          0.19525235       0.39139174       0.62992966 
          0.33469808       0.37854454       0.62353243 
          0.25454122       0.48834416       0.62441067 
          0.36641565       0.26142708       0.38715760 
          0.28445286       0.26667632       0.43189954 
          0.29890324       0.29432473       0.31740145 
          0.16392056       0.75581719       0.48858863 
          0.18766887       0.72216807       0.38127544 
          0.16039978       0.64255228       0.45898098 
          0.18449673       0.52746014       0.33229634 
          0.25080726       0.48995547       0.26484835 
          0.19380676       0.41332501       0.31079111 
          0.33786496       0.61449396       0.36994852 
          0.36808707       0.58299120       0.46924788 
          0.32343585       0.59901643       0.43201372 
          0.25394706       0.71024831       0.66850958 
          0.32330585       0.83803017       0.41252473 
          0.23119981       0.42985112       0.59410118 
          0.31947096       0.29816902       0.38550426 
          0.18936505       0.70349074       0.45150872 
          0.22113739       0.47469906       0.32393311 
          0.27501901       0.46399386       0.42473070 
          0.27716054       0.68736189       0.49206130 
          0.27957159       0.65768254       0.59759986 
          0.31780413       0.78270107       0.48800303 
          0.22234698       0.43073767       0.50357637 
          0.33304382       0.38756137       0.41088701 
  
 
 
  
       1.28    1.29
       5.85    5.86
   
          6.34847707 
       6546.77825103 
      -9094.73173771 
        255.02676396 
       2573.98116666 
      -2551.36142167 
         -0.05785216 
       -585.13839344 
       3504.07976474 
        654.92501848 
        654.98287064 
        654.94430253 
   
  
  
       2.26    2.27
       2.26    2.27
   
         82.24889301 
         82.30419243 
         82.26732615 
   
  
  
       1.91    1.91
       1.91    1.91
   
       -184.13597164 
       -184.07955268 
       -184.11716532 
   
  
  
       1.88    1.89
       1.88    1.89
   
       -212.47847452 
       -212.42205556 
       -212.45966820 
   
  
  
       1.88    1.88
       2.17    2.17
   
       -213.17158321 
       -213.11516426 
       -213.15277689 
   
  
  
       0.95    0.95
       5.41    5.41
   
       -192.32779889 
       -192.27137993 
       -192.30899257 
   
  
  
       0.94    0.94
       6.18    6.19
   
       -189.89467069 
       -189.83825173 
       -189.87586437 
   
  
  
       0.99    0.99
       6.39    6.40
   
       -189.11609526 
       -189.05967630 
       -189.09728894 
   
  
  
       1.24    1.25
       6.67    6.68
   
       -188.94825398 
       -188.89183503 
       -188.92944767 
   
  
  
       1.62    1.63
       7.14    7.14
   
       -188.91666326 
       -188.86024430 
       -188.89785694 
   
  
  
       1.54    1.55
       7.15    7.15
   
       -188.90420757 
       -188.84778861 
       -188.88540125 
   
  
  
       1.45    1.46
       7.19    7.20
   
       -188.90002804 
       -188.84360908 
       -188.88122172 
   
  
  
       1.34    1.34
       7.13    7.14
   
       -188.90436046 
       -188.84794150 
       -188.88555414 
   
  
  
       1.23    1.36
       6.87    6.99
   
       -188.91192080 
       -188.85550184 
       -188.89311448