vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 31 
  08:46:15 
 
 
  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      0.32000000      0.75000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           10.00000000       0.00000000       0.00000000 
            0.00000000      10.00000000       0.00000000 
            0.00000000       0.00000000      10.00000000 
    
       1000.00000000 
    
            0.10000000       0.00000000       0.00000000 
            0.00000000       0.10000000       0.00000000 
            0.00000000       0.00000000       0.10000000 
    
   
   
           0.23104298       0.92207405       0.44091414 
           0.14444760       0.46994148       0.74104497 
           0.60644654       0.63797793       0.66484156 
           0.41962782       0.26475473       0.76199507 
           0.47470161       0.85448042       0.90220550 
           0.67087761       0.80896491       0.80317969 
           0.44218453       0.87177342       0.77055231 
           0.31601585       0.67648901       0.52084828 
           0.89739368       0.93602894       0.16234846 
           0.26151900       0.44678151       0.41240258 
           0.46395208       0.25867178       0.22325075 
           0.73259548       0.24552701       0.52332017 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
  
 
 
  
          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 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.50000000       0.50000000       0.00000000 
          0.00000000       0.50000000       0.50000000 
          0.50000000       0.00000000       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
       627.11200000
         0.00001000
       38
       10
       26
       -1
       -1
        27.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -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
     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
           0.00000010
           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
   
  
  
       50
       50
       50
      100
      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      0.32000000      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
  
  
        2
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        16.00000000     28.08500000      1.00000000     14.00100000
         0.00000000      0.00000000      0.00000000      0.00000000
         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
        50.00000000
         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
      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  
  
 
 
        12 
         4 
  
   ion
   element
   atomtype
   
    O    1
    Si   2
    Si   2
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    N    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       8H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
   
  
 
 
  
   
          10.00000000       0.00000000       0.00000000 
           0.00000000      10.00000000       0.00000000 
           0.00000000       0.00000000      10.00000000 
   
      1000.00000000 
   
           0.10000000       0.00000000       0.00000000 
           0.00000000       0.10000000       0.00000000 
           0.00000000       0.00000000       0.10000000 
   
  
  
          0.23104298       0.92207405       0.44091414 
          0.14444760       0.46994148       0.74104497 
          0.60644654       0.63797793       0.66484156 
          0.41962782       0.26475473       0.76199507 
          0.47470161       0.85448042       0.90220550 
          0.67087761       0.80896491       0.80317969 
          0.44218453       0.87177342       0.77055231 
          0.31601585       0.67648901       0.52084828 
          0.89739368       0.93602894       0.16234846 
          0.26151900       0.44678151       0.41240258 
          0.46395208       0.25867178       0.22325075 
          0.73259548       0.24552701       0.52332017 
  
  
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
       6.59    6.68
       6.95    7.05
   
          2.18778779 
       -306.34452560 
       -534.93312974 
         40.52819221 
        741.62526794 
       -709.47216318 
         -0.00992179 
       -105.98249416 
       1002.69875223 
        130.29776569 
        130.30768748 
        130.30107295 
   
  
  
       9.25    9.26
       9.25    9.27
   
         20.32145435 
         20.34149774 
         20.32813548 
   
  
  
       7.83    7.84
       7.83    7.84
   
        -22.23841098 
        -22.25854686 
        -22.24512294 
   
  
  
       7.58    7.60
       7.59    7.60
   
        -24.45598633 
        -24.47348478 
        -24.46181914 
   
  
  
       8.56    8.58
       8.63    8.64
   
        -24.50112818 
        -24.51863084 
        -24.50696240 
   
  
  
       6.90    6.91
       7.20    7.21
   
        -50.12654978 
        -50.14164685 
        -50.13158213 
   
  
  
       7.22    7.23
       7.52    7.53
   
        -19.51265414 
        -19.49018476 
        -19.50516435 
   
  
  
       7.29    7.30
       7.59    7.61
   
        -12.15914277 
        -12.10488574 
        -12.14105709 
   
  
  
       8.38    8.40
       8.73    8.75
   
        -11.59124130 
        -11.54650726 
        -11.57632995 
   
  
  
       7.51    7.53
       7.82    7.84
   
        -10.61874699 
        -10.60672197 
        -10.61473865 
   
  
  
       7.29    7.30
       7.60    7.62
   
         -9.32812399 
         -9.31032153 
         -9.32218984 
   
  
  
       6.87    6.89
       7.19    7.21
   
        -10.77903632 
        -10.71273342 
        -10.75693536 
   
  
  
       8.35    8.36
       8.68    8.70
   
        -10.89393716 
        -10.82617235 
        -10.87134889 
   
  
  
       7.54    7.55
       7.85    7.86
   
        -11.31359549 
        -11.26612118 
        -11.29777072 
   
  
  
       6.39    6.40
       6.70    6.72
   
        -10.98255850 
        -10.91620962 
        -10.96044221 
   
  
  
       6.64    6.65
       6.95    6.97
   
        -12.06994884 
        -12.02722845 
        -12.05570871 
   
  
  
       7.85    7.86
       8.16    8.18
   
        -12.24648214 
        -12.21404803 
        -12.23567077 
   
  
  
       7.28    7.29
       7.59    7.61
   
        -12.33170075 
        -12.29804336 
        -12.32048162 
   
  
  
       6.87    6.88
       7.19    7.20
   
        -11.93707963 
        -11.70947667 
        -11.86121198 
   
  
  
       6.86    6.88
       7.17    7.19
   
        -14.63756227 
        -14.62656268 
        -14.63389574 
   
  
  
       7.83    7.85
       8.15    8.17
   
        -14.43107364 
        -14.40692051 
        -14.42302259 
   
  
  
       6.94    6.96
       7.25    7.27
   
        -14.27659703 
        -14.25258158 
        -14.26859188 
   
  
  
       6.86    6.87
       7.19    7.20
   
        -14.85191134 
        -14.84440434 
        -14.84940901 
   
  
  
       8.35    8.36
       8.68    8.69
   
        -14.97814384 
        -14.97378649 
        -14.97669139 
   
  
  
       7.43    7.45
       7.74    7.76
   
        -14.95722149 
        -14.95249897 
        -14.95564732 
   
  
  
       7.90    7.91
       8.21    8.23
   
        -14.95056676 
        -14.94614759 
        -14.94909370 
   
  
  
       7.04    7.05
       7.37    7.38
   
        -14.92417452 
        -14.91932532 
        -14.92255812 
   
  
  
       6.88    6.90
       7.28    7.30
   
        -14.69235657 
        -14.66462176 
        -14.68311163 
   
  
  
       6.80    6.83
       7.14    7.17
   
        -14.31907842 
        -14.27330570 
        -14.30382085 
   
  
  
       6.84    6.85
       7.17    7.18
   
        -14.18943854 
        -14.14785255 
        -14.17557654 
   
  
  
       6.41    6.43
       6.73    6.75
   
        -14.04447864 
        -13.97670881 
        -14.02188870 
   
  
  
       7.16    7.18
       7.48    7.50
   
        -14.11993098 
        -14.05546905 
        -14.09844367 
   
  
  
       6.49    6.51
       6.83    6.84
   
        -14.69486171 
        -14.65530576 
        -14.68167639 
   
  
  
       7.17    7.19
       7.49    7.50
   
        -15.59155912 
        -15.51568122 
        -15.56626649 
   
  
  
       8.39    8.41
       8.72    8.74
   
        -15.53605133 
        -15.46228341 
        -15.51146203 
   
  
  
       7.62    7.63
       7.94    7.95
   
        -15.60533778 
        -15.54880580 
        -15.58649379 
   
  
  
       6.80    6.81
       7.12    7.13
   
        -15.77424990 
        -15.70832936 
        -15.75227639 
   
  
  
       7.02    7.04
       7.35    7.36
   
        -15.75753841 
        -15.69515914 
        -15.73674532 
   
  
  
       6.58    6.59
       6.92    6.93
   
        -15.90695837 
        -15.85199428 
        -15.88863701 
   
  
  
       6.39    6.40
       6.73    6.74
   
        -15.93955320 
        -15.90585726 
        -15.92832122 
   
  
  
       6.90    6.91
       7.23    7.25
   
        -15.66325327 
        -15.63512695 
        -15.65387783 
   
  
  
       7.07    7.08
       7.41    7.42
   
        -16.14351190 
        -16.16941632 
        -16.15214671 
   
  
  
       6.89    6.91
       7.23    7.24
   
        -16.14331123 
        -16.15735455 
        -16.14799233 
   
  
  
       6.02    6.03
       6.36    6.37
   
        -15.72667764 
        -15.69930535 
        -15.71755354 
   
  
  
       6.21    6.22
       6.57    6.58
   
        -15.31241047 
        -15.28193795 
        -15.30225296 
   
  
  
       5.51    5.52
       5.91    5.92
   
        -15.48323498 
        -15.46891076 
        -15.47846024 
   
  
  
       5.47    5.48
       5.89    5.90
   
        -15.36823264 
        -15.34753546 
        -15.36133358 
   
  
  
       5.49    5.50
       5.91    5.92
   
        -15.43499643 
        -15.41717134 
        -15.42905473 
   
  
  
       5.34    5.34
       5.69    5.70
   
        -15.38506243 
        -15.36625738 
        -15.37879408 
   
  
  
       4.92    4.94
       5.26    5.27
   
        -15.46757781 
        -15.46004330 
        -15.46506631 
   
  
  
       4.98    4.99
       5.33    5.35
   
         -9.19191641 
         -9.10378657 
         -9.16253980 
   
  
  
       5.38    5.40
       5.71    5.72
   
         -6.85106873 
         -6.82115786 
         -6.84109844 
   
  
  
       5.16    5.17
       5.52    5.54
   
         -7.75218316 
         -7.70954158 
         -7.73796930 
   
  
  
       5.58    5.60
       5.96    5.97
   
         -7.70224394 
         -7.66025256 
         -7.68824682 
   
  
  
       5.75    5.75
       6.13    6.13
   
         -7.80044676 
         -7.75533085 
         -7.78540813 
   
  
  
       5.24    5.25
       5.59    5.61
   
        -16.55085016 
        -16.53771600 
        -16.54647211 
   
  
  
       5.63    5.64
       5.98    5.99
   
        -17.11871638 
        -17.08473884 
        -17.10739053 
   
  
  
       5.29    5.30
       5.63    5.64
   
        -15.17376155 
        -15.11226135 
        -15.15326149 
   
  
  
       5.64    5.66
       5.97    5.98
   
        -14.29285181 
        -14.29547271 
        -14.29372545 
   
  
  
       5.13    5.14
       5.48    5.49
   
        -15.35606210 
        -15.32297327 
        -15.34503249 
   
  
  
       4.68    4.69
       5.01    5.03
   
        -16.63907635 
        -16.65225370 
        -16.64346880 
   
  
  
       4.87    4.89
       5.20    5.21
   
        -17.18312615 
        -17.16987635 
        -17.17870955 
   
  
  
       5.74    5.75
       6.06    6.07
   
        -17.11839172 
        -17.08529435 
        -17.10735926 
   
  
  
       5.22    5.23
       5.56    5.57
   
        -16.86266504 
        -16.83624173 
        -16.85385727 
   
  
  
       5.50    5.51
       5.83    5.84
   
        -16.95573466 
        -16.92861210 
        -16.94669380 
   
  
  
       4.80    4.81
       5.12    5.13
   
        -16.68323249 
        -16.65025903 
        -16.67224134 
   
  
  
       5.40    5.41
       5.74    5.74
   
        -16.91816409 
        -16.88255857 
        -16.90629558 
   
  
  
       5.55    5.56
       5.88    5.89
   
        -16.56378840 
        -16.52386169 
        -16.55047949 
   
  
  
       5.08    5.09
       5.41    5.42
   
        -16.57612881 
        -16.53616277 
        -16.56280680 
   
  
  
       4.99    5.01
       5.32    5.34
   
        -16.88066339 
        -16.83953533 
        -16.86695404 
   
  
  
       5.17    5.18
       5.50    5.51
   
        -18.49287542 
        -18.44667100 
        -18.47747395 
   
  
  
       4.89    4.90
       5.22    5.23
   
        -18.03424760 
        -17.99281863 
        -18.02043794 
   
  
  
       6.09    6.10
       6.42    6.43
   
        -17.96372277 
        -17.93150249 
        -17.95298268 
   
  
  
       5.63    5.64
       5.96    5.97
   
        -18.02853109 
        -17.99743221 
        -18.01816480 
   
  
  
       6.03    6.04
       6.36    6.37
   
        -18.05137456 
        -18.02028627 
        -18.04101180 
   
  
  
       4.79    4.81
       5.11    5.13
   
        -16.10274041 
        -16.06044196 
        -16.08864093 
   
  
  
       5.26    5.28
       5.58    5.60
   
        -12.92731561 
        -12.91128926 
        -12.92197349 
   
  
  
       5.50    5.51
       5.83    5.84
   
        -10.84447345 
        -10.87234734 
        -10.85376475 
   
  
  
       5.14    5.15
       5.51    5.52
   
        -11.38519142 
        -11.43232353 
        -11.40090212 
   
  
  
       6.21    6.22
       6.55    6.57
   
        -11.39109867 
        -11.43745121 
        -11.40654952 
   
  
  
       6.29    6.30
       6.62    6.63
   
      -2130.61427184 
      -2130.59123049 
      -2130.60659139 
   
  
  
       5.25    5.26
       5.57    5.59
   
         -5.76198951 
         -5.70802337 
         -5.74400080 
   
  
  
       5.30    5.31
       5.63    5.64
   
         -9.98266405 
         -9.92331694 
         -9.96288168 
   
  
  
       5.24    5.25
       5.58    5.59
   
         -9.88971290 
         -9.83676827 
         -9.87206469 
   
  
  
       5.21    5.22
       5.55    5.56
   
         -9.53546411 
         -9.48875961 
         -9.51989594 
   
  
  
       4.77    4.79
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       5.41    5.42
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       5.09    5.10
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       6.10    6.11
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       5.34    5.35
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       4.73    4.74
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       5.34    5.36
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        -11.18539933 
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       5.12    5.13
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       5.19    5.20
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        -10.88634095 
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       6.03    6.03
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       4.77    4.78
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       6.20    6.21
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       4.65    4.66
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       4.07    4.08
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       4.11    4.12
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       5.38    5.39
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       4.55    4.56
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          5.10281925 
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