vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 10 09 
  22:24:26 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       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 
    
   
   
           0.34531194       0.47132699       0.50509704 
           0.33912527       0.53181229       0.53237556 
           0.39021572       0.45944900       0.49447524 
           0.29761775       0.76576610       0.65363475 
           0.21701009       0.71787363       0.63241626 
           0.27900686       0.65537393       0.69074128 
           0.36911735       0.87412184       0.36700078 
           0.28379782       0.90263003       0.38680527 
           0.34801222       0.94664638       0.45598352 
           0.18836585       0.38803823       0.67442624 
           0.27743869       0.34824787       0.65559069 
           0.25674248       0.46502692       0.66389363 
           0.33460731       0.18461350       0.44476449 
           0.25324256       0.21566837       0.48144931 
           0.27762541       0.23428650       0.36815758 
           0.17610435       0.76748747       0.46201362 
           0.20610815       0.76490961       0.35145309 
           0.18395252       0.66473426       0.40540928 
           0.20302716       0.49281516       0.36464766 
           0.26083295       0.42729168       0.30435313 
           0.18990104       0.37707733       0.35434028 
           0.33267892       0.62683837       0.32194426 
           0.39921412       0.63922859       0.39912371 
           0.34679265       0.64959764       0.38449514 
           0.27105550       0.70385275       0.63714793 
           0.33213788       0.88774879       0.41899624 
           0.23419115       0.40297346       0.63868553 
           0.29511606       0.23464232       0.43794183 
           0.20731875       0.72984444       0.41547542 
           0.22827007       0.42828477       0.36298198 
           0.27762951       0.41137768       0.46703555 
           0.29473742       0.71692033       0.45839041 
           0.29619703       0.66617141       0.55667098 
           0.32766670       0.81596951       0.47984502 
           0.22032034       0.40779632       0.54606214 
           0.32211597       0.31863406       0.46251775 
   
  
  
           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
       63
       -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
   
   
         1
     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  
   
   
       200
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000004
           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
  
  
        3
        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
      200
        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 
   
  
  
          0.34531194       0.47132699       0.50509704 
          0.33912527       0.53181229       0.53237556 
          0.39021572       0.45944900       0.49447524 
          0.29761775       0.76576610       0.65363475 
          0.21701009       0.71787363       0.63241626 
          0.27900686       0.65537393       0.69074128 
          0.36911735       0.87412184       0.36700078 
          0.28379782       0.90263003       0.38680527 
          0.34801222       0.94664638       0.45598352 
          0.18836585       0.38803823       0.67442624 
          0.27743869       0.34824787       0.65559069 
          0.25674248       0.46502692       0.66389363 
          0.33460731       0.18461350       0.44476449 
          0.25324256       0.21566837       0.48144931 
          0.27762541       0.23428650       0.36815758 
          0.17610435       0.76748747       0.46201362 
          0.20610815       0.76490961       0.35145309 
          0.18395252       0.66473426       0.40540928 
          0.20302716       0.49281516       0.36464766 
          0.26083295       0.42729168       0.30435313 
          0.18990104       0.37707733       0.35434028 
          0.33267892       0.62683837       0.32194426 
          0.39921412       0.63922859       0.39912371 
          0.34679265       0.64959764       0.38449514 
          0.27105550       0.70385275       0.63714793 
          0.33213788       0.88774879       0.41899624 
          0.23419115       0.40297346       0.63868553 
          0.29511606       0.23464232       0.43794183 
          0.20731875       0.72984444       0.41547542 
          0.22827007       0.42828477       0.36298198 
          0.27762951       0.41137768       0.46703555 
          0.29473742       0.71692033       0.45839041 
          0.29619703       0.66617141       0.55667098 
          0.32766670       0.81596951       0.47984502 
          0.22032034       0.40779632       0.54606214 
          0.32211597       0.31863406       0.46251775 
  
 
 
  
       1.95    1.97
       6.55    6.56
   
          6.34847707 
       6444.82567318 
      -8993.60704250 
        255.06225455 
       2573.98116666 
      -2551.36142167 
         -0.03426747 
       -585.30668490 
       3504.07976474 
        653.98791965 
        654.02218712 
        653.99934214 
   
  
  
       2.29    2.30
       2.29    2.30
   
         93.90155752 
         93.93263966 
         93.91191824 
   
  
  
       1.90    1.91
       1.90    1.91
   
       -182.37558758 
       -182.31916862 
       -182.35678126 
   
  
  
       1.97    1.98
       1.97    1.98
   
       -214.66345587 
       -214.60703691 
       -214.64464955 
   
  
  
       1.67    1.68
       2.26    2.27
   
       -215.40755385 
       -215.35113489 
       -215.38874753 
   
  
  
       1.57    1.58
       7.13    7.13
   
       -195.63684018 
       -195.58042122 
       -195.61803386 
   
  
  
       1.68    1.69
       7.26    7.26
   
       -192.97500625 
       -192.91858729 
       -192.95619993 
   
  
  
       1.76    1.77
       7.43    7.43
   
       -192.22249065 
       -192.16607169 
       -192.20368433 
   
  
  
       1.84    1.85
       7.42    7.43
   
       -192.05742403 
       -192.00100507 
       -192.03861771 
   
  
  
       1.51    1.53
       7.11    7.13
   
       -192.02929888 
       -191.97287992 
       -192.01049256 
   
  
  
       1.21    1.22
       6.75    6.75
   
       -192.01421604 
       -191.95779708 
       -191.99540972 
   
  
  
       0.96    0.97
       6.53    6.54
   
       -192.00762741 
       -191.95120845 
       -191.98882109 
   
  
  
       0.86    0.87
       6.40    6.40
   
       -192.01154965 
       -191.95513069 
       -191.99274333 
   
  
  
       0.82    0.82
       5.67    5.67
   
       -192.01807036 
       -191.96165140 
       -191.99926404