vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 13 
  18:17:13 
 
 
  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 
    
   
   
           0.66593761       0.35541714       0.48427201 
           0.67818273       0.37386068       0.54926575 
           0.65168612       0.28882288       0.49150622 
           0.28210833       0.75233304       0.68253481 
           0.19817997       0.70970494       0.68377926 
           0.25992546       0.66318061       0.75638336 
           0.33670243       0.74342180       0.36291666 
           0.26466968       0.80582860       0.39783645 
           0.34678864       0.84148240       0.42937199 
           0.15783088       0.39486180       0.65316109 
           0.24209136       0.35596270       0.63981115 
           0.22610111       0.47268148       0.65753734 
           0.33640797       0.18513724       0.49313805 
           0.25041509       0.21722791       0.50359215 
           0.29036668       0.21277666       0.39430349 
           0.15748558       0.72100978       0.50859542 
           0.17729334       0.67183982       0.40421553 
           0.14770631       0.60384505       0.49299576 
           0.18102952       0.47182028       0.33993141 
           0.25596386       0.42577741       0.29337308 
           0.19489472       0.35470039       0.34446663 
           0.32350092       0.55810530       0.39812001 
           0.35472906       0.53057852       0.50531292 
           0.30777577       0.53816505       0.46685755 
           0.25155114       0.69148308       0.68970888 
           0.31493631       0.78256378       0.41823595 
           0.20738158       0.41123964       0.62567057 
           0.29831866       0.23358324       0.46607381 
           0.17935972       0.66170429       0.47690290 
           0.21971087       0.41972556       0.34871731 
           0.26475369       0.42134286       0.45959855 
           0.26660646       0.64158089       0.51674592 
           0.27003495       0.62579447       0.62590771 
           0.31287038       0.73253108       0.49855652 
           0.20042209       0.42305530       0.53177270 
           0.31685039       0.33204887       0.47507080 
   
  
  
           1 
           2 
           3 
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           5 
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           8 
           9 
          10 
          11 
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          14 
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          21 
          22 
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          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
       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  
   
   
       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
  
  
        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
      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 
   
  
  
          0.66593761       0.35541714       0.48427201 
          0.67818273       0.37386068       0.54926575 
          0.65168612       0.28882288       0.49150622 
          0.28210833       0.75233304       0.68253481 
          0.19817997       0.70970494       0.68377926 
          0.25992546       0.66318061       0.75638336 
          0.33670243       0.74342180       0.36291666 
          0.26466968       0.80582860       0.39783645 
          0.34678864       0.84148240       0.42937199 
          0.15783088       0.39486180       0.65316109 
          0.24209136       0.35596270       0.63981115 
          0.22610111       0.47268148       0.65753734 
          0.33640797       0.18513724       0.49313805 
          0.25041509       0.21722791       0.50359215 
          0.29036668       0.21277666       0.39430349 
          0.15748558       0.72100978       0.50859542 
          0.17729334       0.67183982       0.40421553 
          0.14770631       0.60384505       0.49299576 
          0.18102952       0.47182028       0.33993141 
          0.25596386       0.42577741       0.29337308 
          0.19489472       0.35470039       0.34446663 
          0.32350092       0.55810530       0.39812001 
          0.35472906       0.53057852       0.50531292 
          0.30777577       0.53816505       0.46685755 
          0.25155114       0.69148308       0.68970888 
          0.31493631       0.78256378       0.41823595 
          0.20738158       0.41123964       0.62567057 
          0.29831866       0.23358324       0.46607381 
          0.17935972       0.66170429       0.47690290 
          0.21971087       0.41972556       0.34871731 
          0.26475369       0.42134286       0.45959855 
          0.26660646       0.64158089       0.51674592 
          0.27003495       0.62579447       0.62590771 
          0.31287038       0.73253108       0.49855652 
          0.20042209       0.42305530       0.53177270 
          0.31685039       0.33204887       0.47507080 
  
 
 
  
      42.67   42.81
      46.03   46.17
   
          6.34847707 
       5639.09105791 
      -8217.96859891 
        263.02224749 
       2564.72054280 
      -2541.99018201 
         -0.00564552 
       -541.73737064 
       3504.07976474 
        675.56029293 
        675.56593845 
        675.56217477 
   
  
  
      54.35   54.40
      54.36   54.40
   
         99.28476074 
         99.28422512 
         99.28458220 
   
  
  
      46.80   46.85
      46.80   46.85
   
       -145.78491615 
       -145.80593755 
       -145.79192328 
   
  
  
      46.05   46.09
      46.05   46.09
   
       -168.22160361 
       -168.24839682 
       -168.23053468 
   
  
  
      48.35   48.40
      48.80   48.85
   
       -168.70483962 
       -168.73175988 
       -168.71381304 
   
  
  
      41.05   41.10
      44.54   44.60
   
        -70.40310652 
        -70.41781473 
        -70.40800926 
   
  
  
      44.08   44.14
      46.79   46.85
   
       -121.12489171 
       -121.13826262 
       -121.12934868 
   
  
  
      43.02   43.06
      45.14   45.19
   
       -135.83256356 
       -135.84562418 
       -135.83691710 
   
  
  
      43.63   43.72
      46.63   46.73
   
       -162.73493716 
       -162.75151188 
       -162.74046207 
   
  
  
      93.40   93.51
      96.09   96.21
   
       -174.06385677 
       -174.08367992 
       -174.07046449 
   
  
  
     188.77  188.84
     219.12  219.19
   
       -182.40427141 
       -182.42473946 
       -182.41109409