vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 17 
  11:44:43 
 
 
  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 
    
   
   
           0.69729889       0.45571324       0.59252288 
           0.72068782       0.45821199       0.65562562 
           0.73760694       0.44928473       0.55038094 
           0.15106509       0.51714242       0.36706374 
           0.20720801       0.61033656       0.36796180 
           0.22101565       0.51980135       0.29297001 
           0.11042935       0.54883381       0.65747859 
           0.15010324       0.63749352       0.59818713 
           0.10649814       0.55171639       0.53855983 
           0.41976372       0.43016449       0.29439954 
           0.41901689       0.34014391       0.37256150 
           0.34609259       0.40887395       0.35907227 
           0.53056661       0.27759588       0.57308125 
           0.53244981       0.34999994       0.47985356 
           0.56554518       0.39163637       0.58216804 
           0.24729926       0.68991473       0.50457103 
           0.30487688       0.66657951       0.59130759 
           0.32981721       0.65549639       0.47787120 
           0.44107812       0.61856661       0.55854168 
           0.45048631       0.55577583       0.65878174 
           0.51331611       0.55116821       0.57498443 
           0.32461457       0.44549838       0.64131341 
           0.30961523       0.37764338       0.54747889 
           0.32669806       0.44466095       0.56773478 
           0.20394045       0.53719118       0.36057626 
           0.13874610       0.56541527       0.59677221 
           0.40129706       0.40878116       0.36010488 
           0.52610651       0.34734066       0.55215160 
           0.28819968       0.64511718       0.52473729 
           0.45898889       0.55520963       0.58621930 
           0.41682161       0.45710186       0.53480177 
           0.26228633       0.52481683       0.52649451 
           0.24449046       0.49127602       0.42344846 
           0.19771868       0.51250372       0.59536802 
           0.42624208       0.46977790       0.42510244 
           0.45626854       0.36554298       0.56966140 
   
  
  
           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 
   
  
  
          0.69729889       0.45571324       0.59252288 
          0.72068782       0.45821199       0.65562562 
          0.73760694       0.44928473       0.55038094 
          0.15106509       0.51714242       0.36706374 
          0.20720801       0.61033656       0.36796180 
          0.22101565       0.51980135       0.29297001 
          0.11042935       0.54883381       0.65747859 
          0.15010324       0.63749352       0.59818713 
          0.10649814       0.55171639       0.53855983 
          0.41976372       0.43016449       0.29439954 
          0.41901689       0.34014391       0.37256150 
          0.34609259       0.40887395       0.35907227 
          0.53056661       0.27759588       0.57308125 
          0.53244981       0.34999994       0.47985356 
          0.56554518       0.39163637       0.58216804 
          0.24729926       0.68991473       0.50457103 
          0.30487688       0.66657951       0.59130759 
          0.32981721       0.65549639       0.47787120 
          0.44107812       0.61856661       0.55854168 
          0.45048631       0.55577583       0.65878174 
          0.51331611       0.55116821       0.57498443 
          0.32461457       0.44549838       0.64131341 
          0.30961523       0.37764338       0.54747889 
          0.32669806       0.44466095       0.56773478 
          0.20394045       0.53719118       0.36057626 
          0.13874610       0.56541527       0.59677221 
          0.40129706       0.40878116       0.36010488 
          0.52610651       0.34734066       0.55215160 
          0.28819968       0.64511718       0.52473729 
          0.45898889       0.55520963       0.58621930 
          0.41682161       0.45710186       0.53480177 
          0.26228633       0.52481683       0.52649451 
          0.24449046       0.49127602       0.42344846 
          0.19771868       0.51250372       0.59536802 
          0.42624208       0.46977790       0.42510244 
          0.45626854       0.36554298       0.56966140 
  
 
 
  
       4.47    4.64
       7.25    7.43
   
          6.34847707 
       5703.54433471 
      -8270.28143740 
        263.97258174 
       2564.72054280 
      -2541.99018201 
          0.00977783 
       -542.50633850 
       3504.07976474 
        687.89752098 
        687.88774316 
        687.89426171 
   
  
  
       5.94    5.95
       5.94    5.95
   
        103.27131579 
        103.28401545 
        103.27554901 
   
  
  
       4.99    5.00
       4.99    5.00
   
       -146.30200334 
       -146.32760698 
       -146.31053788 
   
  
  
       4.93    4.94
       4.93    4.94
   
       -169.06690600 
       -169.08364000 
       -169.07248400 
   
  
  
       4.62    4.65
       5.07    5.10
   
       -169.56204392 
       -169.57927876 
       -169.56778887 
   
  
  
       3.43    3.50
       7.54    7.63
   
        -70.04940223 
        -70.06525269 
        -70.05468572 
   
  
  
       2.96    3.05
       6.76    6.86
   
       -119.88244720 
       -119.89897676 
       -119.88795705 
   
  
  
       3.03    3.17
       6.58    6.73
   
       -135.07285387 
       -135.09248873 
       -135.07939882 
   
  
  
       2.98    3.05
       6.95    7.03
   
       -164.59879818 
       -164.62596644 
       -164.60785427 
   
  
  
       2.65    2.71
       6.27    6.33
   
       -176.42931578 
       -176.46414278 
       -176.44092478 
   
  
  
       2.62    2.77
       6.37    6.53
   
       -183.95392913 
       -183.98375575 
       -183.96387134 
   
  
  
       2.80    2.86
       6.46    6.53
   
       -188.05294301 
       -188.08492119 
       -188.06360241 
   
  
  
       3.30    3.34
       7.09    7.15
   
       -189.20867373 
       -189.24417875 
       -189.22050874 
   
  
  
       3.32    3.40
       7.31    7.39
   
       -190.16665468 
       -190.20177468 
       -190.17836134 
   
  
  
       2.80    2.87
       7.03    7.12
   
       -190.68069188 
       -190.71748093 
       -190.69295490 
   
  
  
       2.77    2.85
       6.51    6.60
   
       -191.23021007 
       -191.26668528 
       -191.24236847 
   
  
  
       2.78    2.86
       6.61    6.69
   
       -191.62114517 
       -191.65776496 
       -191.63335177 
   
  
  
       2.95    3.04
       6.78    6.88
   
       -206.35477535 
       -206.33351045 
       -206.34768705 
   
  
  
       2.94    3.01
       6.90    6.98
   
    -621716.58982530 
    -621716.54324750 
    -621716.57429937