vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 17 
  13:03:54 
 
 
  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 
    
   
   
           0.81173426       0.39111993       0.58965161 
           0.82856324       0.42122653       0.64811917 
           0.85126917       0.40211164       0.54613842 
           0.14260898       0.52009802       0.36368893 
           0.19468537       0.61696463       0.37230940 
           0.21403043       0.53207496       0.29310706 
           0.10110796       0.55644955       0.65693138 
           0.14293916       0.64476122       0.59987327 
           0.09743601       0.56234821       0.53812376 
           0.41204767       0.43838196       0.29385707 
           0.40927575       0.34742648       0.37100203 
           0.33706233       0.41700289       0.35579552 
           0.51660485       0.27312551       0.57291157 
           0.52412200       0.35009596       0.48260061 
           0.54201719       0.38534881       0.59419252 
           0.23908729       0.69564613       0.50506365 
           0.29486851       0.67115411       0.59347336 
           0.32181109       0.66052276       0.48082919 
           0.43298191       0.62099960       0.55887010 
           0.44128745       0.55835069       0.65931300 
           0.50442618       0.55281307       0.57587880 
           0.31501960       0.45104205       0.64137807 
           0.29928649       0.38241294       0.54840059 
           0.31641226       0.44967576       0.56778436 
           0.19466859       0.54425542       0.36071564 
           0.12986649       0.57328442       0.59671038 
           0.39221647       0.41633679       0.35861653 
           0.50911207       0.34288829       0.55290644 
           0.27930382       0.65025685       0.52624942 
           0.45010548       0.55720413       0.58687774 
           0.40628059       0.46050308       0.53422237 
           0.25280643       0.53022043       0.52634914 
           0.23538906       0.49757832       0.42288856 
           0.18747605       0.51787353       0.59401343 
           0.41610046       0.47636617       0.42529473 
           0.44024539       0.36440612       0.56577181 
   
  
  
           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 
   
  
  
          0.81173426       0.39111993       0.58965161 
          0.82856324       0.42122653       0.64811917 
          0.85126917       0.40211164       0.54613842 
          0.14260898       0.52009802       0.36368893 
          0.19468537       0.61696463       0.37230940 
          0.21403043       0.53207496       0.29310706 
          0.10110796       0.55644955       0.65693138 
          0.14293916       0.64476122       0.59987327 
          0.09743601       0.56234821       0.53812376 
          0.41204767       0.43838196       0.29385707 
          0.40927575       0.34742648       0.37100203 
          0.33706233       0.41700289       0.35579552 
          0.51660485       0.27312551       0.57291157 
          0.52412200       0.35009596       0.48260061 
          0.54201719       0.38534881       0.59419252 
          0.23908729       0.69564613       0.50506365 
          0.29486851       0.67115411       0.59347336 
          0.32181109       0.66052276       0.48082919 
          0.43298191       0.62099960       0.55887010 
          0.44128745       0.55835069       0.65931300 
          0.50442618       0.55281307       0.57587880 
          0.31501960       0.45104205       0.64137807 
          0.29928649       0.38241294       0.54840059 
          0.31641226       0.44967576       0.56778436 
          0.19466859       0.54425542       0.36071564 
          0.12986649       0.57328442       0.59671038 
          0.39221647       0.41633679       0.35861653 
          0.50911207       0.34288829       0.55290644 
          0.27930382       0.65025685       0.52624942 
          0.45010548       0.55720413       0.58687774 
          0.40628059       0.46050308       0.53422237 
          0.25280643       0.53022043       0.52634914 
          0.23538906       0.49757832       0.42288856 
          0.18747605       0.51787353       0.59401343 
          0.41610046       0.47636617       0.42529473 
          0.44024539       0.36440612       0.56577181 
  
 
 
  
       4.81    4.89
       8.63    8.72
   
          6.34847707 
       5560.77583001 
      -8125.86428766 
        264.04027085 
       2564.72054280 
      -2541.99018201 
         -0.00138964 
       -610.67315856 
       3504.07976474 
        621.43586760 
        621.43725724 
        621.43633081 
   
  
  
       5.83    5.84
       5.83    5.84
   
         80.88083414 
         80.86738773 
         80.87635201 
   
  
  
       4.94    4.95
       4.95    4.95
   
       -147.69671124 
       -147.69988975 
       -147.69777074 
   
  
  
       4.96    4.97
       4.96    4.97
   
       -169.27197574 
       -169.28553294 
       -169.27649480 
   
  
  
       4.85    4.88
       5.58    5.61
   
       -169.73894871 
       -169.75294008 
       -169.74361250 
   
  
  
       3.81    3.84
       8.02    8.06
   
        -71.32100037 
        -71.33760218 
        -71.32653431 
   
  
  
       4.32    4.40
       8.54    8.62
   
       -121.54553218 
       -121.56205006 
       -121.55103814 
   
  
  
       4.23    4.28
       9.02    9.08
   
       -136.45606462 
       -136.47489277 
       -136.46234067 
   
  
  
       3.64    3.69
       7.90    7.96
   
       -165.10075641 
       -165.12692258 
       -165.10947847 
   
  
  
       2.71    2.78
       6.48    6.55
   
       -176.69914567 
       -176.73155083 
       -176.70994739 
   
  
  
       2.58    2.63
       6.10    6.16
   
       -183.66644096 
       -183.69640613 
       -183.67642935 
   
  
  
       3.06    3.17
       7.22    7.35
   
       -188.28608606 
       -188.31447472 
       -188.29554895 
   
  
  
       3.09    3.14
       7.00    7.08
   
       -189.34518514 
       -189.37947776 
       -189.35661601 
   
  
  
       2.94    2.98
       6.99    7.03
   
       -190.42007662 
       -190.45291510 
       -190.43102278 
   
  
  
       3.04    3.10
       6.99    7.06
   
       -190.75030078 
       -190.78510507 
       -190.76190221 
   
  
  
       2.53    2.60
       6.53    6.60
   
       -191.35919779 
       -191.39414039 
       -191.37084532 
   
  
  
       3.14    3.32
       7.00    7.19
   
       -191.72567890 
       -191.76070480 
       -191.73735420 
   
  
  
       2.87    2.95
       6.89    6.98
   
       -191.91918731 
       -191.95436630 
       -191.93091364 
   
  
  
       2.75    2.85
       6.63    6.73
   
       -192.06232625 
       -192.09751885 
       -192.07405712 
   
  
  
       2.79    2.86
       7.05    7.17
   
       -192.12298211 
       -192.15816742 
       -192.13471055 
   
  
  
       3.18    3.24
       7.34    7.42
   
       -192.13474759 
       -192.16993900 
       -192.14647806 
   
  
  
       2.97    3.07
       7.29    7.40
   
       -192.13747825 
       -192.17268063 
       -192.14921238 
   
  
  
       2.88    2.93
       7.86    7.92
   
       -192.13865300 
       -192.17386425 
       -192.15039008 
   
  
  
       2.80    2.88
       7.35    7.45
   
       -192.13887831 
       -192.17409385 
       -192.15061682 
   
  
  
       2.25    2.34
       6.48    6.65
   
       -192.13927318 
       -192.17449301 
       -192.15101312 
   
  
  
       2.40    2.49
       6.65    6.74
   
       -192.13956274 
       -192.17478326 
       -192.15130291 
   
  
  
       2.57    2.66
       6.84    6.94
   
       -192.13976706 
       -192.17498693 
       -192.15150702 
   
  
  
       3.04    3.12
       7.90    8.00
   
       -192.14924983 
       -192.18447088 
       -192.16099018 
   
  
  
       3.38    3.45
       7.88    7.96
   
    -869577.15713514 
    -869577.09577066 
    -869577.13668032 
   
  
  
       3.30    3.33
       7.10    7.14
   
     -33117.38316076 
     -33117.35584130 
     -33117.37405428 
   
  
  
       2.02    2.08
       5.85    5.92
   
      -1713.81779349 
      -1713.74402428 
      -1713.79320375 
   
  
  
       2.15    2.18
       6.59    6.64
   
     -18921.87756921 
     -18921.89924519 
     -18921.88479454 
   
  
  
       1.91    1.93
       6.27    6.30
   
    -473670.91728378 
    -473670.89926188 
    -473670.91127648 
   
  
  
       1.84    1.85
       5.82    5.84
   
    -191375.20800357 
    -191375.17650500 
    -191375.19750405 
   
  
  
       0.88    0.90
       3.60    3.62
   
    -397263.28136976 
    -397263.25369338 
    -397263.27214430 
   
  
  
       0.75    0.75
       2.18    2.19
   
    -620421.77794965 
    -620421.79735886 
    -620421.78441939