vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 17 
  14:16:06 
 
 
  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 
    
   
   
           0.81176999       0.39121785       0.58976397 
           0.82861343       0.42109790       0.64801788 
           0.85135050       0.40201729       0.54615203 
           0.14261174       0.52012813       0.36373907 
           0.19477657       0.61694380       0.37219498 
           0.21401385       0.53192621       0.29306206 
           0.10114871       0.55637734       0.65696408 
           0.14292981       0.64472748       0.59988682 
           0.09742248       0.56230164       0.53815044 
           0.41203747       0.43839753       0.29391718 
           0.40916680       0.34749226       0.37114942 
           0.33703508       0.41718555       0.35593100 
           0.51648450       0.27311140       0.57299636 
           0.52419456       0.35016739       0.48265258 
           0.54175227       0.38535853       0.59418262 
           0.23908861       0.69562338       0.50504255 
           0.29492781       0.67116341       0.59341728 
           0.32182026       0.66051854       0.48074832 
           0.43291032       0.62095574       0.55899821 
           0.44142717       0.55844588       0.65935843 
           0.50446069       0.55309006       0.57575376 
           0.31500538       0.45096691       0.64136229 
           0.29937465       0.38240951       0.54830694 
           0.31640574       0.44967002       0.56778400 
           0.19469204       0.54421474       0.36068184 
           0.12988230       0.57323750       0.59672019 
           0.39218128       0.41642439       0.35868188 
           0.50886588       0.34284873       0.55277867 
           0.27933127       0.65023543       0.52620506 
           0.45013667       0.55716426       0.58690378 
           0.40629881       0.46046052       0.53423031 
           0.25283488       0.53020269       0.52634349 
           0.23541573       0.49756280       0.42289422 
           0.18752922       0.51787548       0.59400402 
           0.41616333       0.47648204       0.42531206 
           0.44019622       0.36432459       0.56562184 
   
  
  
           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 
   
  
  
          0.81176999       0.39121785       0.58976397 
          0.82861343       0.42109790       0.64801788 
          0.85135050       0.40201729       0.54615203 
          0.14261174       0.52012813       0.36373907 
          0.19477657       0.61694380       0.37219498 
          0.21401385       0.53192621       0.29306206 
          0.10114871       0.55637734       0.65696408 
          0.14292981       0.64472748       0.59988682 
          0.09742248       0.56230164       0.53815044 
          0.41203747       0.43839753       0.29391718 
          0.40916680       0.34749226       0.37114942 
          0.33703508       0.41718555       0.35593100 
          0.51648450       0.27311140       0.57299636 
          0.52419456       0.35016739       0.48265258 
          0.54175227       0.38535853       0.59418262 
          0.23908861       0.69562338       0.50504255 
          0.29492781       0.67116341       0.59341728 
          0.32182026       0.66051854       0.48074832 
          0.43291032       0.62095574       0.55899821 
          0.44142717       0.55844588       0.65935843 
          0.50446069       0.55309006       0.57575376 
          0.31500538       0.45096691       0.64136229 
          0.29937465       0.38240951       0.54830694 
          0.31640574       0.44967002       0.56778400 
          0.19469204       0.54421474       0.36068184 
          0.12988230       0.57323750       0.59672019 
          0.39218128       0.41642439       0.35868188 
          0.50886588       0.34284873       0.55277867 
          0.27933127       0.65023543       0.52620506 
          0.45013667       0.55716426       0.58690378 
          0.40629881       0.46046052       0.53423031 
          0.25283488       0.53020269       0.52634349 
          0.23541573       0.49756280       0.42289422 
          0.18752922       0.51787548       0.59400402 
          0.41616333       0.47648204       0.42531206 
          0.44019622       0.36432459       0.56562184 
  
 
 
  
       3.46    3.70
       6.04    6.28
   
          6.34847707 
       5563.05932648 
      -8127.90199027 
        264.05635507 
       2564.72054280 
      -2541.99018201 
         -0.00163592 
       -610.79636715 
       3504.07976474 
        621.57429081 
        621.57592673 
        621.57483611 
   
  
  
       5.95    5.96
       5.95    5.96
   
         80.85426124 
         80.84071078 
         80.84974442 
   
  
  
       4.89    4.90
       4.90    4.90
   
       -147.71526893 
       -147.71657054 
       -147.71570280 
   
  
  
       5.00    5.00
       5.00    5.00
   
       -169.27707936 
       -169.29124051 
       -169.28179974 
   
  
  
       5.33    5.34
       5.60    5.61
   
       -169.74380314 
       -169.75843760 
       -169.74868129 
   
  
  
       2.71    2.76
       5.15    5.20
   
        -71.32189900 
        -71.33862523 
        -71.32747441 
   
  
  
       3.86    3.90
       7.60    7.69
   
       -121.54098663 
       -121.55764935 
       -121.54654087 
   
  
  
       3.90    3.95
       7.92    7.98
   
       -136.45215975 
       -136.47107137 
       -136.45846362 
   
  
  
       3.38    3.44
       7.69    7.76
   
       -165.08664687 
       -165.11279053 
       -165.09536142 
   
  
  
       3.37    3.46
       7.14    7.24
   
       -176.68794428 
       -176.72053020 
       -176.69880626 
   
  
  
       3.03    3.10
       6.83    6.90
   
       -183.62337239 
       -183.65335872 
       -183.63336783 
   
  
  
       3.04    3.10
       6.66    6.73
   
       -188.26911424 
       -188.29740387 
       -188.27854412 
   
  
  
       3.20    3.31
       6.93    7.06
   
       -189.33463022 
       -189.36912135 
       -189.34612726 
   
  
  
       2.87    2.92
       6.54    6.59
   
       -190.40608060 
       -190.43893160 
       -190.41703094 
   
  
  
       2.61    2.75
       6.73    6.87
   
       -190.74246333 
       -190.77748475 
       -190.75413714 
   
  
  
       3.14    3.20
       6.90    6.97
   
       -191.34551981 
       -191.38068596 
       -191.35724186 
   
  
  
       3.27    3.32
       7.55    7.61
   
       -191.71491120 
       -191.75018008 
       -191.72666749 
   
  
  
       3.29    3.37
       7.55    7.65
   
       -191.91631428 
       -191.95172378 
       -191.92811745 
   
  
  
       3.00    3.10
       6.94    7.04
   
       -192.06091007 
       -192.09633557 
       -192.07271857 
   
  
  
       2.80    2.85
       6.17    6.23
   
       -192.12302885 
       -192.15844556 
       -192.13483442 
   
  
  
       3.41    3.46
       7.24    7.28
   
       -192.13105140 
       -192.16646909 
       -192.14285730 
   
  
  
       2.95    3.02
       7.09    7.17
   
       -192.13740210 
       -192.17282939 
       -192.14921120 
   
  
  
       2.90    2.96
       7.15    7.21
   
       -192.13921723 
       -192.17464784 
       -192.15102743 
   
  
  
       3.14    3.21
       7.44    7.53
   
       -192.14264267 
       -192.17808491 
       -192.15445675 
   
  
  
       3.16    3.22
       7.63    7.70
   
       -192.14394110 
       -192.17938413 
       -192.15575544 
   
  
  
       3.39    3.49
       8.16    8.29
   
     -12175.66621000 
     -12175.61548587 
     -12175.64930196 
   
  
  
       3.13    3.21
       8.17    8.26
   
       -995.99503412 
       -995.97404444 
       -995.98803756 
   
  
  
       2.95    3.05
       7.95    8.06
   
      -4230.82628099 
      -4230.75631185 
      -4230.80295794 
   
  
  
       3.95    4.03
       8.61    8.70
   
     -98500.79268007 
     -98500.84278195 
     -98500.80938070 
   
  
  
       3.93    4.19
       8.68    8.96
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.45    2.53
       6.64    6.74
   
    -206745.67460571 
    -206745.62685394 
    -206745.65868845 
   
  
  
       3.02    3.11
       7.44    7.53
   
    -447661.57629947 
    -447661.54589800 
    -447661.56616565 
   
  
  
       2.42    2.47
       7.07    7.11
   
    -750252.60519514 
    -750252.61100774 
    -750252.60713267 
   
  
  
       2.00    2.03
       5.98    6.01
   
    -493257.94346454 
    -493257.95808405 
    -493257.94833771 
   
  
  
       1.06    1.07
       3.65    3.66
   
    -240400.33296156 
    -240400.34655247 
    -240400.33749187 
   
  
  
       0.99    0.99
       2.94    2.95
   
    **************** 
    **************** 
    ****************