vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 18 
  20:58:03 
 
 
  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 
    
   
   
           0.81177511       0.39113419       0.58973592 
           0.82860654       0.42116247       0.64806086 
           0.85135906       0.40207458       0.54610794 
           0.14260500       0.52010406       0.36370298 
           0.19470541       0.61695954       0.37228695 
           0.21402711       0.53204070       0.29309408 
           0.10111568       0.55642810       0.65694741 
           0.14293925       0.64475653       0.59987824 
           0.09742696       0.56233809       0.53812410 
           0.41204106       0.43838713       0.29387847 
           0.40923927       0.34746161       0.37103732 
           0.33707061       0.41705099       0.35583410 
           0.51655659       0.27291302       0.57295324 
           0.52415904       0.35012875       0.48247264 
           0.54190889       0.38527481       0.59406640 
           0.23907737       0.69564591       0.50505599 
           0.29487810       0.67115267       0.59345859 
           0.32180813       0.66051859       0.48081275 
           0.43298497       0.62094355       0.55894088 
           0.44132755       0.55840222       0.65927405 
           0.50439202       0.55291280       0.57586044 
           0.31500660       0.45102578       0.64137648 
           0.29929810       0.38240902       0.54837606 
           0.31646765       0.44965273       0.56778973 
           0.19465905       0.54425851       0.36069303 
           0.12984664       0.57329305       0.59670938 
           0.39220039       0.41636898       0.35864316 
           0.50918294       0.34314993       0.55314971 
           0.27931544       0.65027545       0.52623821 
           0.45010441       0.55716709       0.58687515 
           0.40624969       0.46064253       0.53417316 
           0.25282910       0.53019513       0.52635416 
           0.23539148       0.49757603       0.42288312 
           0.18749082       0.51786833       0.59401527 
           0.41610277       0.47635336       0.42533092 
           0.44010723       0.36430072       0.56571872 
   
  
  
           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 
   
  
  
          0.81177511       0.39113419       0.58973592 
          0.82860654       0.42116247       0.64806086 
          0.85135906       0.40207458       0.54610794 
          0.14260500       0.52010406       0.36370298 
          0.19470541       0.61695954       0.37228695 
          0.21402711       0.53204070       0.29309408 
          0.10111568       0.55642810       0.65694741 
          0.14293925       0.64475653       0.59987824 
          0.09742696       0.56233809       0.53812410 
          0.41204106       0.43838713       0.29387847 
          0.40923927       0.34746161       0.37103732 
          0.33707061       0.41705099       0.35583410 
          0.51655659       0.27291302       0.57295324 
          0.52415904       0.35012875       0.48247264 
          0.54190889       0.38527481       0.59406640 
          0.23907737       0.69564591       0.50505599 
          0.29487810       0.67115267       0.59345859 
          0.32180813       0.66051859       0.48081275 
          0.43298497       0.62094355       0.55894088 
          0.44132755       0.55840222       0.65927405 
          0.50439202       0.55291280       0.57586044 
          0.31500660       0.45102578       0.64137648 
          0.29929810       0.38240902       0.54837606 
          0.31646765       0.44965273       0.56778973 
          0.19465905       0.54425851       0.36069303 
          0.12984664       0.57329305       0.59670938 
          0.39220039       0.41636898       0.35864316 
          0.50918294       0.34314993       0.55314971 
          0.27931544       0.65027545       0.52623821 
          0.45010441       0.55716709       0.58687515 
          0.40624969       0.46064253       0.53417316 
          0.25282910       0.53019513       0.52635416 
          0.23539148       0.49757603       0.42288312 
          0.18749082       0.51786833       0.59401527 
          0.41610277       0.47635336       0.42533092 
          0.44010723       0.36430072       0.56571872 
  
 
 
  
       3.19    3.38
       6.27    6.46
   
          6.34847707 
       5560.81075006 
      -8125.98860323 
        264.03411674 
       2564.72054280 
      -2541.99018201 
         -0.00117399 
       -610.60334836 
       3504.07976474 
        621.41034383 
        621.41151782 
        621.41073516 
   
  
  
       5.79    5.82
       5.79    5.83
   
         80.91048192 
         80.89727480 
         80.90607954 
   
  
  
       4.89    4.90
       4.89    4.90
   
       -147.69537772 
       -147.69876938 
       -147.69650827 
   
  
  
       4.94    4.95
       4.95    4.95
   
       -169.27292105 
       -169.28608516 
       -169.27730909 
   
  
  
       5.33    5.34
       5.72    5.73
   
       -169.73971773 
       -169.75328559 
       -169.74424035 
   
  
  
       3.45    3.51
       6.44    6.52
   
        -71.32778278 
        -71.34425591 
        -71.33327382 
   
  
  
       3.54    3.57
       7.59    7.62
   
       -121.55576883 
       -121.57223202 
       -121.56125656 
   
  
  
       3.69    3.72
       7.95    7.99
   
       -136.46089031 
       -136.47973713 
       -136.46717258 
   
  
  
       2.98    3.03
       6.63    6.68
   
       -165.10577124 
       -165.13229703 
       -165.11461317 
   
  
  
       2.81    2.90
       6.49    6.58
   
       -176.70349157 
       -176.73614414 
       -176.71437576 
   
  
  
       2.75    2.85
       6.62    6.74
   
       -183.66540285 
       -183.69553928 
       -183.67544833 
   
  
  
       2.77    2.83
       6.73    6.79
   
       -188.28845105 
       -188.31655404 
       -188.29781871 
   
  
  
       2.94    3.03
       6.84    6.93
   
       -189.34145907 
       -189.37574919 
       -189.35288911 
   
  
  
       2.64    2.68
       6.52    6.58
   
       -190.42326013 
       -190.45620718 
       -190.43424248 
   
  
  
       2.97    3.04
       7.02    7.10
   
       -190.73422633 
       -190.76918677 
       -190.74587981 
   
  
  
       2.62    2.74
       6.77    6.91
   
       -191.33756131 
       -191.37256887 
       -191.34923050 
   
  
  
       2.71    2.76
       6.75    6.82
   
       -191.71080311 
       -191.74584801 
       -191.72248475 
   
  
  
       2.66    2.76
       6.52    6.63
   
       -191.91048454 
       -191.94572778 
       -191.92223229 
   
  
  
       3.12    3.19
       7.02    7.11
   
       -192.05757644 
       -192.09284080 
       -192.06933122 
   
  
  
       3.12    3.20
       6.94    7.04
   
       -192.12008134 
       -192.15532166 
       -192.13182811 
   
  
  
       3.04    3.21
       7.35    7.53
   
       -192.13325370 
       -192.16849291 
       -192.14500011 
   
  
  
       3.17    3.23
       7.58    7.65
   
       -192.13595752 
       -192.17120688 
       -192.14770730 
   
  
  
       3.66    3.74
       7.53    7.62
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.75    2.83
       7.01    7.11
   
       -635.21689715 
       -635.24354223 
       -635.22577884 
   
  
  
       3.18    3.31
       7.37    7.52
   
      -4797.28191100 
      -4797.22792478 
      -4797.26391559 
   
  
  
       2.93    3.03
       7.17    7.31
   
       -255.41435585 
       -255.43077538 
       -255.41982903 
   
  
  
       2.83    2.96
       7.89    8.06
   
      -4457.39035308 
      -4457.32413577 
      -4457.36828064 
   
  
  
       3.52    3.63
       8.84    8.96
   
     -58957.25793877 
     -58957.29940823 
     -58957.27176193 
   
  
  
       4.14    4.20
       9.19    9.27
   
     -16725.14866526 
     -16725.13075245 
     -16725.14269432 
   
  
  
       3.31    3.32
       8.44    8.47
   
    -331284.90615989 
    -331284.87406622 
    -331284.89546200