vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 17 
  11:40:32 
 
 
  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 
    
   
   
           0.66200854       0.47230780       0.59618486 
           0.68330082       0.46420396       0.65859594 
           0.69619853       0.45542076       0.54742368 
           0.15335157       0.51636929       0.36785236 
           0.21053324       0.60843766       0.36672472 
           0.22283504       0.51647989       0.29297131 
           0.11290468       0.54675253       0.65756109 
           0.15201444       0.63547800       0.59768823 
           0.10888987       0.54884513       0.53864556 
           0.42180220       0.42795786       0.29461213 
           0.42158268       0.33814095       0.37295182 
           0.34846320       0.40673371       0.35993880 
           0.53105326       0.26942535       0.57369347 
           0.53473994       0.35218855       0.47833801 
           0.62237931       0.43131810       0.59048440 
           0.24948789       0.68833241       0.50439874 
           0.30751382       0.66530287       0.59069140 
           0.33191397       0.65410776       0.47704083 
           0.44329684       0.61758792       0.55849259 
           0.45298300       0.55503191       0.65855648 
           0.51587626       0.55095294       0.57473805 
           0.32711659       0.44403406       0.64125092 
           0.31242783       0.37647242       0.54716071 
           0.32899597       0.44362208       0.56771772 
           0.20636773       0.53530415       0.36041700 
           0.14098785       0.56332701       0.59673884 
           0.40357130       0.40655462       0.36037063 
           0.51597725       0.33283393       0.54405421 
           0.29056091       0.64370549       0.52430955 
           0.46157054       0.55417696       0.58609483 
           0.41827225       0.45748444       0.53408238 
           0.26460791       0.52348377       0.52646016 
           0.24685485       0.48953074       0.42357194 
           0.20032518       0.51101509       0.59557513 
           0.42905242       0.46774226       0.42523009 
           0.45443835       0.36166451       0.56929101 
   
  
  
           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 
   
  
  
          0.66200854       0.47230780       0.59618486 
          0.68330082       0.46420396       0.65859594 
          0.69619853       0.45542076       0.54742368 
          0.15335157       0.51636929       0.36785236 
          0.21053324       0.60843766       0.36672472 
          0.22283504       0.51647989       0.29297131 
          0.11290468       0.54675253       0.65756109 
          0.15201444       0.63547800       0.59768823 
          0.10888987       0.54884513       0.53864556 
          0.42180220       0.42795786       0.29461213 
          0.42158268       0.33814095       0.37295182 
          0.34846320       0.40673371       0.35993880 
          0.53105326       0.26942535       0.57369347 
          0.53473994       0.35218855       0.47833801 
          0.62237931       0.43131810       0.59048440 
          0.24948789       0.68833241       0.50439874 
          0.30751382       0.66530287       0.59069140 
          0.33191397       0.65410776       0.47704083 
          0.44329684       0.61758792       0.55849259 
          0.45298300       0.55503191       0.65855648 
          0.51587626       0.55095294       0.57473805 
          0.32711659       0.44403406       0.64125092 
          0.31242783       0.37647242       0.54716071 
          0.32899597       0.44362208       0.56771772 
          0.20636773       0.53530415       0.36041700 
          0.14098785       0.56332701       0.59673884 
          0.40357130       0.40655462       0.36037063 
          0.51597725       0.33283393       0.54405421 
          0.29056091       0.64370549       0.52430955 
          0.46157054       0.55417696       0.58609483 
          0.41827225       0.45748444       0.53408238 
          0.26460791       0.52348377       0.52646016 
          0.24685485       0.48953074       0.42357194 
          0.20032518       0.51101509       0.59557513 
          0.42905242       0.46774226       0.42523009 
          0.45443835       0.36166451       0.56929101 
  
 
 
  
       4.67    4.78
       6.92    7.03
   
          6.34847707 
       5816.82918095 
      -8374.96111275 
        264.47682279 
       2564.72054280 
      -2541.99018201 
          0.06033892 
       -546.40153964 
       3504.07976474 
        693.16229287 
        693.10195395 
        693.14217989 
   
  
  
       5.84    5.84
       5.84    5.84
   
        105.05917602 
        105.11032652 
        105.07622618 
   
  
  
       4.76    4.77
       4.76    4.77
   
       -147.42998232 
       -147.43578023 
       -147.43191496 
   
  
  
       4.83    4.84
       4.83    4.84
   
       -171.05376774 
       -171.05956565 
       -171.05570038 
   
  
  
       3.80    3.84
       4.59    4.62
   
       -171.59396203 
       -171.59975993 
       -171.59589466 
   
  
  
       3.19    3.27
       7.60    7.69
   
        -69.98687811 
        -69.99874998 
        -69.99083540 
   
  
  
       3.76    3.88
       8.48    8.61
   
       -120.30064173 
       -120.30644092 
       -120.30257480 
   
  
  
       3.09    3.14
       7.58    7.65
   
       -134.52023970 
       -134.52603761 
       -134.52217234 
   
  
  
       3.00    3.12
       7.14    7.28
   
       -165.19120256 
       -165.19700046 
       -165.19313519 
   
  
  
       2.73    2.82
       6.48    6.59
   
       -176.53418640 
       -176.53998430 
       -176.53611903 
   
  
  
       2.90    2.97
       6.30    6.37
   
       -184.24685195 
       -184.25264986 
       -184.24878459 
   
  
  
       2.88    2.97
       6.91    7.03
   
       -188.97708031 
       -188.98287821 
       -188.97901294 
   
  
  
       3.46    3.54
       7.39    7.47
   
       -190.43145613 
       -190.43725403 
       -190.43338876 
   
  
  
       3.30    3.36
       8.11    8.19
   
       -191.42629495 
       -191.43209285 
       -191.42822758 
   
  
  
       3.17    3.27
       7.54    7.66
   
       -191.85191255 
       -191.85771045 
       -191.85384518 
   
  
  
       2.68    2.73
       6.39    6.45
   
       -192.38506062 
       -192.39085853 
       -192.38699326 
   
  
  
       2.68    2.76
       6.52    6.60
   
       -192.60984826 
       -192.61564616 
       -192.61178089 
   
  
  
       2.65    2.69
       6.55    6.60
   
       -192.74961770 
       -192.75541561 
       -192.75155034 
   
  
  
       3.18    3.22
       7.19    7.25
   
       -192.82382341 
       -192.82962132 
       -192.82575605 
   
  
  
       3.07    3.16
       7.94    8.05
   
       -192.84062501 
       -192.84642292 
       -192.84255765 
   
  
  
       2.93    3.00
       7.03    7.12
   
       -192.84488331 
       -192.85068122 
       -192.84681595 
   
  
  
       2.71    2.78
       6.87    6.94
   
       -192.84563579 
       -192.85143369 
       -192.84756842 
   
  
  
       3.00    3.07
       7.16    7.24
   
       -192.84857549 
       -192.85437339 
       -192.85050812 
   
  
  
       3.25    3.31
       7.70    7.77
   
       -257.16662470 
       -257.11056263 
       -257.14793735 
   
  
  
       3.22    3.35
       7.90    8.05
   
       -192.58784669 
       -192.59364459 
       -192.58977932 
   
  
  
       2.98    3.04
       7.39    7.45
   
       -192.83356169 
       -192.83935959 
       -192.83549432 
   
  
  
       2.46    2.57
       6.35    6.48
   
       -192.86483248 
       -192.87063039 
       -192.86676512 
   
  
  
       3.05    3.20
       6.46    6.63
   
     -29459.60457597 
     -29459.56519814 
     -29459.59145003 
   
  
  
       3.23    3.31
       6.30    6.39
   
      -6478.32523429 
      -6478.32125259 
      -6478.32390705 
   
  
  
       3.99    4.01
       7.62    7.64
   
      -4851.54013458 
      -4851.53684877 
      -4851.53903931 
   
  
  
       1.81    1.87
       6.89    6.96
   
     -11437.86088087 
     -11437.84332848 
     -11437.85503007 
   
  
  
       1.95    1.97
       6.38    6.41
   
    -165612.92888890 
    -165612.93416793 
    -165612.93064858 
   
  
  
       1.94    1.96
       5.95    5.98
   
    -245166.26397584 
    -245166.23112397 
    -245166.25302522 
   
  
  
       1.87    1.89
       5.72    5.75
   
    -178803.80263578 
    -178803.80856945 
    -178803.80461367