vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2026 02 02 
  02:23:06 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        0.73000000      1.11000000      0.77000000      0.32000000      0.75000000
        0.05400000      0.06000000      0.00600000      0.13100000      0.18600000      0.01100000      0.00200000      0.04900000      0.00400000      0.00000000      0.00100000      0.00100000     -0.00100000      0.00300000      0.00100000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
      0.00000000     -0.00300000      0.74600000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           11.00000000       0.00000000       0.00000000 
            0.00000000      10.00000000       0.00000000 
            0.00000000       0.00000000      10.00000000 
    
       1100.00000000 
    
            0.09090909       0.00000000       0.00000000 
            0.00000000       0.10000000       0.00000000 
            0.00000000       0.00000000       0.10000000 
    
   
   
           0.11243801       0.36457723       0.47639714 
           0.79352500       0.31994632       0.67934187 
           0.96806348       0.19251391       0.48723764 
           0.78073554       0.39935328       0.93584231 
           0.89973759       0.28935328       0.53511923 
           0.08020106       0.45043596       0.08955397 
           0.57826533       0.66613899       0.22816947 
           0.22508607       0.63365348       0.62165269 
           0.37686109       0.68979836       0.55421692 
           0.57186909       0.97270967       0.92168470 
           0.93657021       0.80066617       0.26536856 
           0.51436448       0.59473793       0.43239094 
           0.18763277       0.93448618       0.17791579 
           0.73006158       0.48757073       0.58001243 
           0.03955345       0.52208405       0.49517980 
           0.00580186       0.97933090       0.61471521 
           0.76836331       0.73531723       0.18997421 
           0.32372547       0.08814114       0.60935812 
           0.81562225       0.44439764       0.81081528 
           0.88610303       0.61816396       0.47417738 
           0.29101545       0.66730698       0.72686343 
           0.45513882       0.26631366       0.13769379 
           0.15659641       0.90301218       0.57863349 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
          23 
  
 
 
  
          2        2        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
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          0.00000000       0.50000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.50000000       0.50000000       0.00000000 
          0.50000000       0.00000000       0.50000000 
          0.00000000       0.50000000       0.50000000 
          0.50000000       0.50000000       0.50000000 
  
  
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       40
       -1
       -1
        50.00000000
        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  
          0.05400000      0.06000000      0.00600000      0.13100000      0.18600000      0.01100000      0.00200000      0.04900000      0.00400000      0.00000000      0.00100000      0.00100000     -0.00100000      0.00300000      0.00100000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
      0.00000000     -0.00300000      0.74600000
         -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
           0.00000006
           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
   
  
  
       54
       50
       50
      108
      100
      100
    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
         0.73000000      1.11000000      0.77000000      0.32000000      0.75000000
      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
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        16.00000000     28.08500000     12.01100000      1.00000000     14.00100000
         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
        28.69565217
         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  
  
 
 
        23 
         5 
  
   ion
   element
   atomtype
   
    O    1
    Si   2
    Si   2
    C    3
    C    3
    C    3
    C    3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    N    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       4C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      15H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
   
  
 
 
  
   
          11.00000000       0.00000000       0.00000000 
           0.00000000      10.00000000       0.00000000 
           0.00000000       0.00000000      10.00000000 
   
      1100.00000000 
   
           0.09090909       0.00000000       0.00000000 
           0.00000000       0.10000000       0.00000000 
           0.00000000       0.00000000       0.10000000 
   
  
  
          0.11243801       0.36457723       0.47639714 
          0.79352500       0.31994632       0.67934187 
          0.96806348       0.19251391       0.48723764 
          0.78073554       0.39935328       0.93584231 
          0.89973759       0.28935328       0.53511923 
          0.08020106       0.45043596       0.08955397 
          0.57826533       0.66613899       0.22816947 
          0.22508607       0.63365348       0.62165269 
          0.37686109       0.68979836       0.55421692 
          0.57186909       0.97270967       0.92168470 
          0.93657021       0.80066617       0.26536856 
          0.51436448       0.59473793       0.43239094 
          0.18763277       0.93448618       0.17791579 
          0.73006158       0.48757073       0.58001243 
          0.03955345       0.52208405       0.49517980 
          0.00580186       0.97933090       0.61471521 
          0.76836331       0.73531723       0.18997421 
          0.32372547       0.08814114       0.60935812 
          0.81562225       0.44439764       0.81081528 
          0.88610303       0.61816396       0.47417738 
          0.29101545       0.66730698       0.72686343 
          0.45513882       0.26631366       0.13769379 
          0.15659641       0.90301218       0.57863349 
  
 
 
  
       7.93    8.13
       8.18    8.38
   
          8.19223027 
       -232.40782709 
      -1134.49466071 
         99.22057957 
       1193.74450417 
      -1163.95454741 
         -0.00450430 
       -212.20344281 
       1678.55807637 
        236.65040805 
        236.65491235 
        236.65190948 
   
  
  
      12.89   12.91
      12.89   12.91
   
          8.90458141 
          8.91071443 
          8.90662575 
   
  
  
      13.08   13.09
      13.08   13.09
   
        -51.89271501 
        -51.84414083 
        -51.87652362 
   
  
  
      12.03   12.04
      12.04   12.05
   
        -55.69809251 
        -55.66290311 
        -55.68636271 
   
  
  
      12.53   12.54
      12.59   12.59
   
        -55.83632175 
        -55.80261965 
        -55.82508772 
   
  
  
      12.58   12.59
      12.89   12.90
   
        -89.31265794 
        -89.25140529 
        -89.29224039 
   
  
  
      11.53   11.54
      11.84   11.85
   
        -43.26785205 
        -43.24528287 
        -43.26032899 
   
  
  
      11.51   11.53
      11.83   11.84
   
        -42.94284955 
        -42.77769637 
        -42.88779849 
   
  
  
      12.34   12.36
      12.65   12.66
   
        -42.55974820 
        -42.52368091 
        -42.54772577 
   
  
  
      10.11   10.12
      10.40   10.41
   
        -41.84665177 
        -41.78501587 
        -41.82610647 
   
  
  
      10.07   10.08
      10.39   10.41
   
        -41.91965969 
        -41.86092047 
        -41.90007995 
   
  
  
      10.01   10.02
      10.34   10.35
   
        -41.96322066 
        -41.91141173 
        -41.94595102 
   
  
  
      10.93   10.93
      11.23   11.23
   
        -42.30698107 
        -42.31802954 
        -42.31066390 
   
  
  
       9.55    9.56
       9.87    9.88
   
        -42.34098344 
        -42.36709140 
        -42.34968609 
   
  
  
      10.51   10.52
      10.81   10.83
   
        -42.51803336 
        -42.46534022 
        -42.50046898 
   
  
  
       9.96    9.96
      10.26   10.27
   
        -42.60847792 
        -42.58999632 
        -42.60231739 
   
  
  
      10.15   10.16
      10.46   10.48
   
        -42.60774783 
        -42.59119108 
        -42.60222891 
   
  
  
      10.76   10.77
      11.07   11.08
   
        -42.61657806 
        -42.62295147 
        -42.61870253 
   
  
  
      12.09   12.10
      12.41   12.42
   
        -42.58282946 
        -42.59081404 
        -42.58549099 
   
  
  
      10.77   10.78
      11.08   11.09
   
        -42.63105494 
        -42.65227856 
        -42.63812948 
   
  
  
      10.68   10.69
      10.99   11.00
   
        -42.62379838 
        -42.61779053 
        -42.62179577 
   
  
  
      11.64   11.66
      11.95   11.96
   
        -42.67779890 
        -42.65713023 
        -42.67090935 
   
  
  
      11.84   11.85
      12.17   12.18
   
        -42.85151483 
        -42.86234817 
        -42.85512594 
   
  
  
      10.16   10.17
      10.48   10.48
   
        -42.98670172 
        -43.00291098 
        -42.99210481 
   
  
  
      10.75   10.77
      11.06   11.08
   
        -43.54251935 
        -43.58583094 
        -43.55695654 
   
  
  
      11.08   11.09
      11.38   11.39
   
        -44.11684263 
        -44.14636030 
        -44.12668186 
   
  
  
      10.55   10.56
      10.88   10.88
   
        -36.89647945 
        -36.89457698 
        -36.89584529 
   
  
  
      10.38   10.39
      10.69   10.70
   
        -23.92847352 
        -23.93037886 
        -23.92910863 
   
  
  
      11.11   11.12
      11.41   11.43
   
        -38.00634007 
        -37.98614226 
        -37.99960746 
   
  
  
      10.67   10.69
      10.99   11.00
   
        -35.75179110 
        -35.72203393 
        -35.74187204 
   
  
  
      11.21   11.22
      11.53   11.54
   
        -79.78477580 
        -79.75478801 
        -79.77477987 
   
  
  
      11.52   11.53
      11.83   11.84
   
       -380.79931898 
       -380.77040678 
       -380.78968158 
   
  
  
      10.16   10.17
      10.47   10.48
   
      -2005.36310948 
      -2005.35027953 
      -2005.35883283 
   
  
  
      11.04   11.04
      11.35   11.36
   
     -93651.84345818 
     -93651.88809222 
     -93651.85833619 
   
  
  
      10.18   10.19
      10.49   10.50
   
        141.47865647 
        141.50055064 
        141.48595453 
   
  
  
      10.01   10.02
      10.35   10.35
   
        185.38193035 
        185.38712767 
        185.38366279 
   
  
  
      11.84   11.85
      12.17   12.18
   
       -270.39213890 
       -270.37487821 
       -270.38638534 
   
  
  
      11.47   11.48
      11.79   11.80
   
       -312.87928757 
       -312.87771160 
       -312.87876225 
   
  
  
      11.99   12.00
      12.31   12.32
   
        188.10230050 
        188.13339678 
        188.11266592 
   
  
  
      10.16   10.17
      10.49   10.50
   
        440.93398687 
        440.91368071 
        440.92721815 
   
  
  
      11.31   11.32
      11.64   11.65
   
       7871.55326647 
       7871.55869024 
       7871.55507439 
   
  
  
      11.92   11.93
      12.25   12.25
   
        669.62673635 
        669.65666822 
        669.63671364 
   
  
  
      12.44   12.45
      12.77   12.77
   
        634.04492640 
        634.08855146 
        634.05946809 
   
  
  
      12.45   12.46
      12.80   12.81
   
        631.03425589 
        631.08103144 
        631.04984774 
   
  
  
      10.66   10.67
      11.02   11.03
   
        679.82994102 
        679.86382466 
        679.84123557 
   
  
  
      12.37   12.39
      12.70   12.71
   
        542.70666163 
        542.66980977 
        542.69437768 
   
  
  
      13.23   13.24
      13.57   13.58
   
        528.76194424 
        528.77343498 
        528.76577449 
   
  
  
      10.60   10.60
      10.95   10.95
   
        187.71164375 
        187.72782498 
        187.71703749 
   
  
  
      11.49   11.50
      11.83   11.84
   
        608.34914160 
        608.38046460 
        608.35958260 
   
  
  
      10.55   10.57
      10.89   10.91
   
        661.71093596 
        661.72640470 
        661.71609221 
   
  
  
      10.63   10.64
      10.98   10.98
   
        493.68836153 
        493.69746631 
        493.69139645 
   
  
  
      12.20   12.21
      12.53   12.54
   
     -13241.44785360 
     -13241.45331643 
     -13241.44967454 
   
  
  
      10.88   10.89
      11.21   11.22
   
        444.00714289 
        444.00793641 
        444.00740739