vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 17 
  12:12:30 
 
 
  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 
    
   
   
           0.76595042       0.41511171       0.59134896 
           0.78568314       0.43665533       0.65073007 
           0.80659161       0.42191260       0.54755932 
           0.14594717       0.51886110       0.36506398 
           0.19968243       0.61435349       0.37061237 
           0.21683355       0.52717693       0.29300295 
           0.10482918       0.55341434       0.65710210 
           0.14581845       0.64184434       0.59917813 
           0.10112552       0.55803333       0.53826241 
           0.41515647       0.43510607       0.29413197 
           0.41319345       0.34448282       0.37157906 
           0.34072494       0.41369399       0.35705043 
           0.52380346       0.27445062       0.57394338 
           0.52805253       0.34956054       0.47989805 
           0.54874281       0.38706204       0.58958571 
           0.24235021       0.69337533       0.50483093 
           0.29884302       0.66928880       0.59255644 
           0.32498927       0.65850452       0.47965110 
           0.43625354       0.62044453       0.55871940 
           0.44493097       0.55738199       0.65906059 
           0.50793495       0.55229948       0.57550833 
           0.31893071       0.44874992       0.64128650 
           0.30348507       0.38049062       0.54806298 
           0.32047723       0.44766821       0.56783596 
           0.19834725       0.54144455       0.36066283 
           0.13344619       0.57013326       0.59670028 
           0.39578412       0.41319552       0.35918106 
           0.51519600       0.34525452       0.55199838 
           0.28284765       0.64816855       0.52560870 
           0.45368430       0.55695939       0.58667891 
           0.41048485       0.45987992       0.53446103 
           0.25677353       0.52788670       0.52652841 
           0.23900242       0.49497803       0.42318880 
           0.19165762       0.51560988       0.59449471 
           0.41998513       0.47373328       0.42536196 
           0.44671686       0.36516066       0.56848342 
   
  
  
           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 
   
  
  
          0.76595042       0.41511171       0.59134896 
          0.78568314       0.43665533       0.65073007 
          0.80659161       0.42191260       0.54755932 
          0.14594717       0.51886110       0.36506398 
          0.19968243       0.61435349       0.37061237 
          0.21683355       0.52717693       0.29300295 
          0.10482918       0.55341434       0.65710210 
          0.14581845       0.64184434       0.59917813 
          0.10112552       0.55803333       0.53826241 
          0.41515647       0.43510607       0.29413197 
          0.41319345       0.34448282       0.37157906 
          0.34072494       0.41369399       0.35705043 
          0.52380346       0.27445062       0.57394338 
          0.52805253       0.34956054       0.47989805 
          0.54874281       0.38706204       0.58958571 
          0.24235021       0.69337533       0.50483093 
          0.29884302       0.66928880       0.59255644 
          0.32498927       0.65850452       0.47965110 
          0.43625354       0.62044453       0.55871940 
          0.44493097       0.55738199       0.65906059 
          0.50793495       0.55229948       0.57550833 
          0.31893071       0.44874992       0.64128650 
          0.30348507       0.38049062       0.54806298 
          0.32047723       0.44766821       0.56783596 
          0.19834725       0.54144455       0.36066283 
          0.13344619       0.57013326       0.59670028 
          0.39578412       0.41319552       0.35918106 
          0.51519600       0.34525452       0.55199838 
          0.28284765       0.64816855       0.52560870 
          0.45368430       0.55695939       0.58667891 
          0.41048485       0.45987992       0.53446103 
          0.25677353       0.52788670       0.52652841 
          0.23900242       0.49497803       0.42318880 
          0.19165762       0.51560988       0.59449471 
          0.41998513       0.47373328       0.42536196 
          0.44671686       0.36516066       0.56848342 
  
 
 
  
       4.03    4.19
       8.13    8.31
   
          6.34847707 
       5587.55528072 
      -8152.86998604 
        264.02625373 
       2564.72054280 
      -2541.99018201 
         -0.01645029 
       -608.81964907 
       3504.07976474 
        623.03405166 
        623.05050195 
        623.03953509 
   
  
  
       5.99    6.00
       5.99    6.00
   
         77.08966560 
         77.06534073 
         77.08155731 
   
  
  
       4.91    4.92
       4.91    4.92
   
       -148.29301401 
       -148.31873226 
       -148.30158676 
   
  
  
       4.99    5.00
       4.99    5.00
   
       -169.26218598 
       -169.27577774 
       -169.26671657 
   
  
  
       4.95    4.98
       5.61    5.65
   
       -169.70977802 
       -169.72341703 
       -169.71432436 
   
  
  
       3.49    3.57
       7.70    7.79
   
        -70.91752342 
        -70.93467433 
        -70.92324039 
   
  
  
       3.29    3.40
       7.22    7.34
   
       -121.15620216 
       -121.17329201 
       -121.16189878 
   
  
  
       3.04    3.11
       6.75    6.83
   
       -136.20804176 
       -136.22787200 
       -136.21465184 
   
  
  
       3.10    3.18
       6.74    6.82
   
       -165.22083647 
       -165.25078961 
       -165.23082085 
   
  
  
       3.04    3.07
       7.20    7.25
   
       -176.77213639 
       -176.80608014 
       -176.78345097 
   
  
  
       2.75    2.82
       6.81    6.89
   
       -183.79239710 
       -183.82434512 
       -183.80304644 
   
  
  
       3.14    3.18
       6.92    6.97
   
       -188.23832331 
       -188.26735791 
       -188.24800151 
   
  
  
       3.40    3.44
       7.12    7.16
   
       -189.37766111 
       -189.41324779 
       -189.38952333 
   
  
  
       2.56    2.64
       6.33    6.42
   
       -190.38449533 
       -190.42029500 
       -190.39642856 
   
  
  
       2.78    2.86
       5.81    5.90
   
       -190.74028262 
       -190.77672205 
       -190.75242909 
   
  
  
       3.12    3.15
       6.74    6.79
   
       -191.28611515 
       -191.32280993 
       -191.29834674 
   
  
  
       3.41    3.45
       8.00    8.06
   
       -191.71555408 
       -191.75220454 
       -191.72777090 
   
  
  
       2.96    3.03
       7.15    7.23
   
       -191.90662128 
       -191.94346878 
       -191.91890378 
   
  
  
       2.30    2.41
       6.10    6.22
   
       -192.02889436 
       -192.06573281 
       -192.04117385 
   
  
  
       2.91    2.95
       6.59    6.64
   
       -192.09271119 
       -192.12953332 
       -192.10498523 
   
  
  
       3.55    3.62
       8.06    8.14
   
       -192.10469624 
       -192.14151674 
       -192.11696974 
   
  
  
       3.29    3.32
       7.66    7.70
   
       -192.10703481 
       -192.14385612 
       -192.11930858 
   
  
  
       3.23    3.32
       7.18    7.28
   
       -192.10782438 
       -192.14465639 
       -192.12010172 
   
  
  
       2.28    2.35
       6.79    6.87
   
       -192.10811786 
       -192.14495571 
       -192.12039714 
   
  
  
       2.28    2.40
       7.02    7.14
   
       -192.10841419 
       -192.14525031 
       -192.12069290 
   
  
  
       2.34    2.48
       6.68    6.83
   
       -192.10878808 
       -192.14561955 
       -192.12106524 
   
  
  
       2.31    2.35
       6.93    6.99
   
       -192.10903487 
       -192.14586804 
       -192.12131259 
   
  
  
       2.31    2.37
       6.98    7.06
   
       -192.10912607 
       -192.14596353 
       -192.12140522 
   
  
  
       2.84    2.90
       7.55    7.61
   
       -192.11102820 
       -192.14786608 
       -192.12330750 
   
  
  
       3.33    3.37
       7.99    8.04
   
       -192.11117155 
       -192.14800939 
       -192.12345083 
   
  
  
       3.94    4.00
       7.54    7.60
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.50    2.57
       6.50    6.57
   
     -12041.19852936 
     -12041.14808147 
     -12041.18171340 
   
  
  
       2.03    2.07
       6.50    6.54
   
      -3994.67902666 
      -3994.71350056 
      -3994.69051796 
   
  
  
       2.03    2.05
       5.97    5.99
   
    -181890.80442151 
    -181890.79806729 
    -181890.80230343 
   
  
  
       1.84    1.86
       5.73    5.76
   
    -759281.77644125 
    -759281.76954601 
    -759281.77414284 
   
  
  
       1.03    1.04
       3.66    3.67
   
    -809708.67554179 
    -809708.64534544 
    -809708.66547634 
   
  
  
       0.77    0.77
       2.40    2.40
   
    -380191.94360943 
    -380191.91217509 
    -380191.93313132 
   
  
  
       0.74    0.75
       2.09    2.10
   
    -840244.31516043 
    -840244.33271926 
    -840244.32101338 
   
  
  
       0.75    0.75
       2.14    2.14
   
    -646960.80403606 
    -646960.80485479 
    -646960.80430897 
   
  
  
       0.75    0.75
       2.17    2.17
   
    **************** 
    **************** 
    ****************