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 
    
   
   
           0.67700389       0.47179481       0.59394308 
           0.69999080       0.45866602       0.65541132 
           0.71413160       0.44973141       0.55077583 
           0.15229588       0.51669106       0.36749086 
           0.20898504       0.60929413       0.36730019 
           0.22198519       0.51799225       0.29294932 
           0.11176445       0.54767142       0.65749988 
           0.15113383       0.63636785       0.59790147 
           0.10778153       0.55013285       0.53859372 
           0.42084706       0.42897257       0.29450653 
           0.42034765       0.33899287       0.37264016 
           0.34733469       0.40771355       0.35951091 
           0.53215062       0.27520540       0.57389990 
           0.53408023       0.35137604       0.47873001 
           0.58925989       0.40296616       0.58370492 
           0.24846872       0.68899145       0.50446726 
           0.30628123       0.66587339       0.59096717 
           0.33094676       0.65475535       0.47740646 
           0.44224020       0.61799410       0.55850393 
           0.45184802       0.55537226       0.65871943 
           0.51470734       0.55076627       0.57489459 
           0.32596725       0.44464212       0.64124409 
           0.31103333       0.37686236       0.54728407 
           0.32813313       0.44381628       0.56770412 
           0.20523824       0.53616257       0.36045760 
           0.13994178       0.56425354       0.59673919 
           0.40245372       0.40750809       0.36019168 
           0.52549084       0.34510822       0.55049458 
           0.28948607       0.64433400       0.52449186 
           0.46041283       0.55479024       0.58624318 
           0.41791796       0.45783640       0.53435629 
           0.26362036       0.52404759       0.52642617 
           0.24577288       0.49030690       0.42347670 
           0.19914257       0.51165500       0.59544129 
           0.42778493       0.46843558       0.42520859 
           0.45827555       0.36524681       0.57033326 
   
  
  
           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 
   
  
  
          0.67700389       0.47179481       0.59394308 
          0.69999080       0.45866602       0.65541132 
          0.71413160       0.44973141       0.55077583 
          0.15229588       0.51669106       0.36749086 
          0.20898504       0.60929413       0.36730019 
          0.22198519       0.51799225       0.29294932 
          0.11176445       0.54767142       0.65749988 
          0.15113383       0.63636785       0.59790147 
          0.10778153       0.55013285       0.53859372 
          0.42084706       0.42897257       0.29450653 
          0.42034765       0.33899287       0.37264016 
          0.34733469       0.40771355       0.35951091 
          0.53215062       0.27520540       0.57389990 
          0.53408023       0.35137604       0.47873001 
          0.58925989       0.40296616       0.58370492 
          0.24846872       0.68899145       0.50446726 
          0.30628123       0.66587339       0.59096717 
          0.33094676       0.65475535       0.47740646 
          0.44224020       0.61799410       0.55850393 
          0.45184802       0.55537226       0.65871943 
          0.51470734       0.55076627       0.57489459 
          0.32596725       0.44464212       0.64124409 
          0.31103333       0.37686236       0.54728407 
          0.32813313       0.44381628       0.56770412 
          0.20523824       0.53616257       0.36045760 
          0.13994178       0.56425354       0.59673919 
          0.40245372       0.40750809       0.36019168 
          0.52549084       0.34510822       0.55049458 
          0.28948607       0.64433400       0.52449186 
          0.46041283       0.55479024       0.58624318 
          0.41791796       0.45783640       0.53435629 
          0.26362036       0.52404759       0.52642617 
          0.24577288       0.49030690       0.42347670 
          0.19914257       0.51165500       0.59544129 
          0.42778493       0.46843558       0.42520859 
          0.45827555       0.36524681       0.57033326 
  
 
 
  
       4.64    4.72
       7.54    7.62
   
          6.34847707 
       5739.74503801 
      -8312.29096636 
        263.65398862 
       2564.72054280 
      -2541.99018201 
          0.02178028 
       -539.99584409 
       3504.07976474 
        684.29259907 
        684.27081879 
        684.28533897 
   
  
  
       5.91    5.92
       5.91    5.92
   
        104.98162603 
        105.01897218 
        104.99407475 
   
  
  
       4.92    4.93
       4.92    4.93
   
       -144.77502151 
       -144.78257935 
       -144.77754079 
   
  
  
       4.79    4.80
       4.79    4.80
   
       -168.41112072 
       -168.41691882 
       -168.41305342 
   
  
  
       3.98    4.01
       4.52    4.55
   
       -168.87921949 
       -168.88501756 
       -168.88115218 
   
  
  
       3.39    3.43
       7.79    7.85
   
        -68.47994547 
        -68.48578491 
        -68.48189195 
   
  
  
       2.81    2.85
       6.52    6.57
   
       -111.24780642 
       -111.25360484 
       -111.24973923 
   
  
  
       3.05    3.19
       6.57    6.72
   
       -132.32133730 
       -132.32715386 
       -132.32327615 
   
  
  
       3.32    3.38
       7.35    7.43
   
       -157.98635185 
       -157.99866503 
       -157.99045624 
   
  
  
       3.39    3.46
       7.85    7.93
   
       -173.97176959 
       -173.98341676 
       -173.97565198 
   
  
  
       3.19    3.27
       7.40    7.50
   
       -179.39088422 
       -179.40301303 
       -179.39492716 
   
  
  
       2.92    3.01
       6.82    6.92
   
       -186.09478458 
       -186.10172397 
       -186.09709771 
   
  
  
       3.22    3.31
       6.94    7.04
   
       -187.49366291 
       -187.50273591 
       -187.49668724 
   
  
  
       2.71    2.75
       6.65    6.72
   
       -188.69967738 
       -188.70799416 
       -188.70244964 
   
  
  
       3.56    3.67
       8.56    8.69
   
       -189.26215265 
       -189.27057429 
       -189.26495986 
   
  
  
       2.64    2.71
       6.84    6.92
   
       -189.82030441 
       -189.82861627 
       -189.82307503 
   
  
  
       2.78    2.85
       6.85    6.93
   
       -190.18773555 
       -190.19593910 
       -190.19047007 
   
  
  
       3.44    3.50
       7.95    8.04
   
       -190.40204530 
       -190.41039449 
       -190.40482836 
   
  
  
       2.64    2.74
       7.28    7.39
   
       -190.50783705 
       -190.51618442 
       -190.51061950 
   
  
  
       2.64    2.72
       6.21    6.29
   
       -190.56304046 
       -190.57139798 
       -190.56582630 
   
  
  
       2.65    2.70
       6.25    6.30
   
       -190.58420932 
       -190.59253873 
       -190.58698579 
   
  
  
       2.68    2.79
       6.58    6.68
   
       -190.58650822 
       -190.59484057 
       -190.58928567 
   
  
  
       2.51    2.60
       6.29    6.39
   
       -190.58765388 
       -190.59599180 
       -190.59043319 
   
  
  
       1.97    2.08
       5.84    5.96
   
       -190.58793074 
       -190.59626939 
       -190.59071029 
   
  
  
       2.25    2.30
       5.82    5.88
   
       -190.58809589 
       -190.59643472 
       -190.59087550 
   
  
  
       2.22    2.25
       6.07    6.11
   
       -190.58841903 
       -190.59675542 
       -190.59119782 
   
  
  
       2.76    2.78
       6.78    6.81
   
       -190.58867682 
       -190.59701355 
       -190.59145573 
   
  
  
       2.64    2.68
       6.89    6.96
   
       -190.58875001 
       -190.59708755 
       -190.59152919 
   
  
  
       2.79    2.80
       5.67    5.68
   
       -190.58877925 
       -190.59711621 
       -190.59155824 
   
  
  
       0.99    1.00
       4.78    4.79
   
       -190.58881222 
       -190.59714921 
       -190.59159122 
   
  
  
       1.79    1.82
       6.18    6.21
   
       -190.58894474 
       -190.59728174 
       -190.59172374 
   
  
  
       2.00    2.02
       6.14    6.17
   
       -199.19653540 
       -199.18377380 
       -199.19228153 
   
  
  
       1.49    1.52
       5.55    5.58
   
       -190.44017270 
       -190.44845481 
       -190.44293341 
   
  
  
       0.61    0.62
       3.07    3.08
   
       -190.58424575 
       -190.59259769 
       -190.58702973 
   
  
  
       0.67    0.67
       2.02    2.02
   
       -198.87498174 
       -198.88330999 
       -198.87775782 
   
  
  
       0.72    0.72
       2.08    2.09
   
     -35010.53326608 
     -35010.58032464 
     -35010.54895227 
   
  
  
       0.72    0.72
       2.11    2.11
   
     -30747.81497901 
     -30747.85958286 
     -30747.82984696 
   
  
  
       0.70    0.70
       2.11    2.12
   
    -310774.73311000 
    -310774.73227575 
    -310774.73283192 
   
  
  
       0.77    0.77
       2.15    2.15
   
    -496770.61573274 
    -496770.66029348 
    -496770.63058632 
   
  
  
       0.78    0.78
       2.15    2.16
   
    -136639.59709498 
    -136639.61334416 
    -136639.60251137 
   
  
  
       0.79    0.79
       2.14    2.15
   
    **************** 
    **************** 
    **************** 
   
  
  
       0.78    0.79
       2.13    2.14
   
    -834906.06306670 
    -834906.06887020 
    -834906.06500120