vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 17 
  12:53:04 
 
 
  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 
    
   
   
           0.74307479       0.42727945       0.59180228 
           0.76411684       0.44439173       0.65238791 
           0.78391994       0.43168240       0.54831245 
           0.14767952       0.51830269       0.36573595 
           0.20225090       0.61299861       0.36971121 
           0.21826024       0.52462996       0.29303634 
           0.10681139       0.55185944       0.65716818 
           0.14729040       0.64038426       0.59883188 
           0.10301296       0.55586583       0.53839029 
           0.41671658       0.43349632       0.29437873 
           0.41515183       0.34303405       0.37200540 
           0.34251219       0.41209086       0.35773732 
           0.52736346       0.27591679       0.57348696 
           0.52983309       0.34920780       0.47954492 
           0.55223805       0.38896996       0.58809182 
           0.24399291       0.69211084       0.50473335 
           0.30088215       0.66840595       0.59210962 
           0.32662121       0.65754507       0.47900170 
           0.43789113       0.62077039       0.55869000 
           0.44675573       0.55710293       0.65891321 
           0.50971288       0.55234940       0.57522556 
           0.32098849       0.44748896       0.64132156 
           0.30577709       0.37953324       0.54786266 
           0.32252181       0.44667410       0.56790679 
           0.20025887       0.53994597       0.36067358 
           0.13532084       0.56849946       0.59666444 
           0.39753621       0.41163339       0.35948002 
           0.51792452       0.34425055       0.55132757 
           0.28469051       0.64709830       0.52529905 
           0.45547281       0.55706983       0.58650029 
           0.41262927       0.45890417       0.53464833 
           0.25852979       0.52685906       0.52644758 
           0.24091725       0.49367341       0.42339900 
           0.19381547       0.51454843       0.59472205 
           0.42207379       0.47260033       0.42540094 
           0.44971115       0.36515297       0.56896066 
   
  
  
           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 
   
  
  
          0.74307479       0.42727945       0.59180228 
          0.76411684       0.44439173       0.65238791 
          0.78391994       0.43168240       0.54831245 
          0.14767952       0.51830269       0.36573595 
          0.20225090       0.61299861       0.36971121 
          0.21826024       0.52462996       0.29303634 
          0.10681139       0.55185944       0.65716818 
          0.14729040       0.64038426       0.59883188 
          0.10301296       0.55586583       0.53839029 
          0.41671658       0.43349632       0.29437873 
          0.41515183       0.34303405       0.37200540 
          0.34251219       0.41209086       0.35773732 
          0.52736346       0.27591679       0.57348696 
          0.52983309       0.34920780       0.47954492 
          0.55223805       0.38896996       0.58809182 
          0.24399291       0.69211084       0.50473335 
          0.30088215       0.66840595       0.59210962 
          0.32662121       0.65754507       0.47900170 
          0.43789113       0.62077039       0.55869000 
          0.44675573       0.55710293       0.65891321 
          0.50971288       0.55234940       0.57522556 
          0.32098849       0.44748896       0.64132156 
          0.30577709       0.37953324       0.54786266 
          0.32252181       0.44667410       0.56790679 
          0.20025887       0.53994597       0.36067358 
          0.13532084       0.56849946       0.59666444 
          0.39753621       0.41163339       0.35948002 
          0.51792452       0.34425055       0.55132757 
          0.28469051       0.64709830       0.52529905 
          0.45547281       0.55706983       0.58650029 
          0.41262927       0.45890417       0.53464833 
          0.25852979       0.52685906       0.52644758 
          0.24091725       0.49367341       0.42339900 
          0.19381547       0.51454843       0.59472205 
          0.42207379       0.47260033       0.42540094 
          0.44971115       0.36515297       0.56896066 
  
 
 
  
       4.78    4.98
       8.68    8.90
   
          6.34847707 
       5615.54697257 
      -8181.01337108 
        264.01089491 
       2564.72054280 
      -2541.99018201 
         -0.03852159 
       -543.06038181 
       3504.07976474 
        688.60419561 
        688.64271720 
        688.61703614 
   
  
  
       5.97    5.99
       5.97    5.99
   
        102.39360382 
        102.37907228 
        102.38875997 
   
  
  
       5.16    5.18
       5.16    5.18
   
       -146.36877425 
       -146.39339656 
       -146.37698169 
   
  
  
       4.91    4.92
       4.91    4.92
   
       -169.21258761 
       -169.22874072 
       -169.21797198 
   
  
  
       5.04    5.06
       5.79    5.81
   
       -169.70552895 
       -169.72200678 
       -169.71102156 
   
  
  
       4.02    4.06
       8.75    8.81
   
        -70.80791983 
        -70.82537334 
        -70.81373766 
   
  
  
       3.86    3.91
       8.00    8.06
   
       -120.89448454 
       -120.91225931 
       -120.90040946 
   
  
  
       3.26    3.29
       6.89    6.93
   
       -136.02885881 
       -136.04935874 
       -136.03569212 
   
  
  
       2.71    2.74
       6.43    6.48
   
       -165.14449248 
       -165.17288061 
       -165.15395519 
   
  
  
       3.16    3.24
       6.85    6.93
   
       -176.68342326 
       -176.71852405 
       -176.69512353 
   
  
  
       2.64    2.73
       6.61    6.71
   
       -183.95813781 
       -183.98899461 
       -183.96842341 
   
  
  
       3.08    3.16
       7.08    7.18
   
       -188.19460229 
       -188.22379880 
       -188.20433446 
   
  
  
       2.95    2.99
       6.84    6.89
   
       -189.27842237 
       -189.31439944 
       -189.29041473 
   
  
  
       2.89    3.02
       6.92    7.06
   
       -190.26550242 
       -190.30051573 
       -190.27717353 
   
  
  
       2.88    2.94
       6.56    6.64
   
       -190.74391847 
       -190.78033703 
       -190.75605799 
   
  
  
       3.25    3.36
       7.15    7.26
   
       -191.31881151 
       -191.35521870 
       -191.33094724 
   
  
  
       3.41    3.54
       7.47    7.60
   
       -191.72448370 
       -191.76112672 
       -191.73669804 
   
  
  
       2.40    2.49
       6.20    6.29
   
       -191.92365462 
       -191.96020829 
       -191.93583918 
   
  
  
       2.93    3.01
       6.47    6.57
   
       -192.06458025 
       -192.10108642 
       -192.07674897 
   
  
  
       3.31    3.35
       7.53    7.58
   
       -192.12188900 
       -192.15844687 
       -192.13407496 
   
  
  
       3.66    3.69
       7.97    8.02
   
       -192.13316019 
       -192.16972043 
       -192.14534694 
   
  
  
       3.13    3.18
       7.52    7.59
   
       -192.13622189 
       -192.17278191 
       -192.14840856 
   
  
  
       3.05    3.14
       7.56    7.66
   
       -192.13743748 
       -192.17401088 
       -192.14962861 
   
  
  
       2.95    3.02
       7.16    7.24
   
       -192.13779873 
       -192.17436952 
       -192.14998899 
   
  
  
       2.88    3.01
       7.58    7.72
   
       -192.13818433 
       -192.17474944 
       -192.15037270 
   
  
  
       2.85    2.94
       7.67    7.77
   
       -192.13858882 
       -192.17515600 
       -192.15077788 
   
  
  
       2.37    2.44
       7.15    7.23
   
       -192.13888258 
       -192.17545360 
       -192.15107292 
   
  
  
       2.11    2.23
       6.28    6.41
   
       -192.13899251 
       -192.17556384 
       -192.15118296 
   
  
  
       2.48    2.56
       6.01    6.09
   
       -192.13900792 
       -192.17557876 
       -192.15119820 
   
  
  
       2.28    2.35
       6.51    6.60
   
       -192.13901721 
       -192.17558792 
       -192.15120745 
   
  
  
       2.15    2.22
       6.66    6.74
   
       -192.13907443 
       -192.17564577 
       -192.15126487 
   
  
  
       1.97    2.02
       7.03    7.08
   
       -192.13907600 
       -192.17564732 
       -192.15126644 
   
  
  
       1.90    1.94
       6.59    6.64
   
       -192.13931980 
       -192.17589119 
       -192.15151026 
   
  
  
       1.67    1.71
       5.89    5.93
   
       -192.13931667 
       -192.17588807 
       -192.15150714 
   
  
  
       1.63    1.66
       5.25    5.27
   
       -203.48568709 
       -203.46485394 
       -203.47874271 
   
  
  
       1.31    1.32
       3.97    3.97
   
       -191.93479089 
       -191.97139743 
       -191.94699307 
   
  
  
       1.14    1.15
       2.94    2.95
   
       -192.13012954 
       -192.16670345 
       -192.14232084 
   
  
  
       1.09    1.09
       2.84    2.84
   
       -192.14004225 
       -192.17660449 
       -192.15222966 
   
  
  
       1.01    1.02
       2.72    2.72
   
       -192.14512745 
       -192.18168089 
       -192.15731193 
   
  
  
       0.97    0.98
       2.57    2.58
   
      -1483.68831141 
      -1483.67891557 
      -1483.68517946 
   
  
  
       0.87    0.88
       2.56    2.56
   
      -4318.09168864 
      -4318.01094475 
      -4318.06477401 
   
  
  
       0.85    0.85
       2.58    2.59
   
     -14754.25387308 
     -14754.19986265 
     -14754.23586961 
   
  
  
       0.87    0.87
       2.63    2.64
   
      -6007.37696831 
      -6007.37255973 
      -6007.37549879 
   
  
  
       0.83    0.83
       2.59    2.60
   
    -109957.00472660 
    -109956.97778298 
    -109956.99574539 
   
  
  
       0.84    0.84
       2.61    2.61
   
    -186050.84317811 
    -186050.81603375 
    -186050.83412999 
   
  
  
       0.84    0.84
       2.64    2.64
   
     -86832.62529184 
     -86832.59092983 
     -86832.61383784 
   
  
  
       0.87    0.88
       2.68    2.68
   
    -298279.81138289 
    -298279.77589147 
    -298279.79955242 
   
  
  
       0.89    0.89
       2.68    2.68
   
    -963200.83042003 
    -963200.82383603 
    -963200.82822536 
   
  
  
       0.76    0.76
       2.55    2.55
   
     -11344.37538688 
     -11344.39237256 
     -11344.38104877 
   
  
  
       0.79    0.80
       2.60    2.60
   
     -11069.13627158 
     -11069.13093484 
     -11069.13449267 
   
  
  
       0.93    0.94
       2.67    2.67
   
     -26806.39691426 
     -26806.44485842 
     -26806.41289564 
   
  
  
       0.88    0.88
       2.64    2.64
   
    -227608.59776759 
    -227608.57624385 
    -227608.59059301 
   
  
  
       0.91    0.92
       2.71    2.72
   
    -190480.95973414 
    -190480.96444187 
    -190480.96130338 
   
  
  
       0.95    0.95
       2.72    2.73
   
     -37751.07243672 
     -37751.04426662 
     -37751.06304669 
   
  
  
       0.92    0.93
       2.71    2.72
   
     -49594.21331169 
     -49594.19893141 
     -49594.20851826