vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 18 
  21:02:10 
 
 
  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 
    
   
   
           0.74256816       0.42748852       0.59135096 
           0.76374403       0.44463011       0.65276297 
           0.78324323       0.43185410       0.54845231 
           0.14775013       0.51827180       0.36582253 
           0.20236349       0.61290321       0.36971695 
           0.21831548       0.52451615       0.29308192 
           0.10693984       0.55176866       0.65718112 
           0.14738541       0.64029358       0.59881709 
           0.10307391       0.55577140       0.53834151 
           0.41677356       0.43346978       0.29434335 
           0.41518228       0.34302514       0.37211500 
           0.34246674       0.41206031       0.35779781 
           0.52721623       0.27556105       0.57326087 
           0.52965237       0.34915715       0.47998648 
           0.55238769       0.38928179       0.58786912 
           0.24405651       0.69199357       0.50473706 
           0.30095694       0.66839088       0.59209158 
           0.32667897       0.65754044       0.47895848 
           0.43799695       0.62086968       0.55885685 
           0.44684788       0.55741662       0.65887971 
           0.50974317       0.55271547       0.57519009 
           0.32104374       0.44743649       0.64152651 
           0.30592455       0.37944516       0.54780955 
           0.32286210       0.44662987       0.56787416 
           0.20034378       0.53989611       0.36070581 
           0.13538583       0.56846082       0.59669895 
           0.39771473       0.41181311       0.35970994 
           0.51777516       0.34486188       0.55170339 
           0.28472999       0.64710019       0.52526545 
           0.45538036       0.55681166       0.58628492 
           0.41307851       0.45818905       0.53476082 
           0.25858979       0.52700747       0.52642611 
           0.24093033       0.49363036       0.42319693 
           0.19376700       0.51454081       0.59487862 
           0.42206502       0.47249163       0.42552972 
           0.44932218       0.36503291       0.56792500 
   
  
  
           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 
   
  
  
          0.74256816       0.42748852       0.59135096 
          0.76374403       0.44463011       0.65276297 
          0.78324323       0.43185410       0.54845231 
          0.14775013       0.51827180       0.36582253 
          0.20236349       0.61290321       0.36971695 
          0.21831548       0.52451615       0.29308192 
          0.10693984       0.55176866       0.65718112 
          0.14738541       0.64029358       0.59881709 
          0.10307391       0.55577140       0.53834151 
          0.41677356       0.43346978       0.29434335 
          0.41518228       0.34302514       0.37211500 
          0.34246674       0.41206031       0.35779781 
          0.52721623       0.27556105       0.57326087 
          0.52965237       0.34915715       0.47998648 
          0.55238769       0.38928179       0.58786912 
          0.24405651       0.69199357       0.50473706 
          0.30095694       0.66839088       0.59209158 
          0.32667897       0.65754044       0.47895848 
          0.43799695       0.62086968       0.55885685 
          0.44684788       0.55741662       0.65887971 
          0.50974317       0.55271547       0.57519009 
          0.32104374       0.44743649       0.64152651 
          0.30592455       0.37944516       0.54780955 
          0.32286210       0.44662987       0.56787416 
          0.20034378       0.53989611       0.36070581 
          0.13538583       0.56846082       0.59669895 
          0.39771473       0.41181311       0.35970994 
          0.51777516       0.34486188       0.55170339 
          0.28472999       0.64710019       0.52526545 
          0.45538036       0.55681166       0.58628492 
          0.41307851       0.45818905       0.53476082 
          0.25858979       0.52700747       0.52642611 
          0.24093033       0.49363036       0.42319693 
          0.19376700       0.51454081       0.59487862 
          0.42206502       0.47249163       0.42552972 
          0.44932218       0.36503291       0.56792500 
  
 
 
  
       4.54    4.70
       8.10    8.26
   
          6.34847707 
       5622.55720080 
      -8187.69294003 
        264.04149741 
       2564.72054280 
      -2541.99018201 
         -0.04147801 
       -543.27830658 
       3504.07976474 
        688.74457618 
        688.78605419 
        688.75840219 
   
  
  
       5.91    5.92
       5.91    5.92
   
        102.40753568 
        102.38804895 
        102.40104010 
   
  
  
       5.13    5.13
       5.13    5.13
   
       -146.37846088 
       -146.40208917 
       -146.38633698 
   
  
  
       4.96    4.97
       4.96    4.97
   
       -169.20617969 
       -169.21968261 
       -169.21068066 
   
  
  
       5.07    5.09
       5.71    5.74
   
       -169.69950157 
       -169.71325411 
       -169.70408575 
   
  
  
       3.59    3.64
       7.76    7.82
   
        -70.84270655 
        -70.85896753 
        -70.84812688 
   
  
  
       3.45    3.49
       7.53    7.57
   
       -120.86254476 
       -120.87919305 
       -120.86809419 
   
  
  
       2.93    3.01
       6.81    6.89
   
       -135.96027908 
       -135.97943833 
       -135.96666550 
   
  
  
       3.15    3.25
       6.64    6.75
   
       -165.00369133 
       -165.03053616 
       -165.01263961 
   
  
  
       3.18    3.22
       7.39    7.46
   
       -176.73063302 
       -176.76328846 
       -176.74151817 
   
  
  
       2.86    2.92
       6.82    6.89
   
       -183.91160322 
       -183.94242651 
       -183.92187765 
   
  
  
       2.76    2.83
       6.96    7.06
   
       -188.33618046 
       -188.36482223 
       -188.34572772 
   
  
  
       3.15    3.25
       7.43    7.56
   
       -196.62917036 
       -196.60182455 
       -196.62005509 
   
  
  
       3.35    3.44
       6.77    6.90
   
     -53740.57199685 
     -53740.55412234 
     -53740.56603868 
   
  
  
       3.45    3.50
       7.20    7.25
   
     -31118.75528214 
     -31118.72476917 
     -31118.74511115 
   
  
  
       3.52    3.59
       7.36    7.43
   
     -71162.71220491 
     -71162.76477510 
     -71162.72972831 
   
  
  
       3.31    3.44
       8.36    8.51
   
    -192824.81589838 
    -192824.81062189 
    -192824.81413955 
   
  
  
       3.42    3.49
       7.45    7.52
   
    -371612.44264065 
    -371612.40149857 
    -371612.42892663 
   
  
  
       3.62    3.71
       7.54    7.65
   
    **************** 
    **************** 
    **************** 
   
  
  
       3.84    3.88
       8.38    8.43
   
    **************** 
    **************** 
    **************** 
   
  
  
       3.37    3.44
       7.27    7.34
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.44    2.52
       6.09    6.17
   
         -6.54144605 
         -6.51348212 
         -6.53212474 
   
  
  
       2.90    2.95
       7.03    7.08
   
       -110.26255624 
       -110.26835415 
       -110.26448888 
   
  
  
       4.16    4.26
       8.65    8.77
   
     -11730.22056912 
     -11730.24846773 
     -11730.22986866 
   
  
  
       4.35    4.46
       8.79    8.92
   
    -343979.94677695 
    -343979.95362998 
    -343979.94906129