vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2026 02 02 
  15:36:39 
 
 
  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 
    
   
   
           0.66227173       0.07179048       0.68227597 
           0.72772543       0.85968004       0.11160634 
           0.14336043       0.56579220       0.01102850 
           0.49952956       0.83277416       0.46990927 
           0.56799857       0.72213451       0.44474825 
           0.02414437       0.60798360       0.50023910 
           0.87514388       0.22774626       0.22866796 
           0.81441471       0.32872092       0.36371477 
           0.73383422       0.13206018       0.66241628 
           0.25187433       0.95632057       0.51967706 
           0.31702764       0.10833814       0.71423198 
           0.69337222       0.33351122       0.45527280 
           0.11488906       0.17021037       0.51516151 
           0.94831314       0.38963898       0.19384694 
           0.70355450       0.83607873       0.82697757 
           0.67281498       0.09565775       0.28373325 
           0.61916633       0.50100469       0.90026543 
           0.25763897       0.01205613       0.46797694 
           0.92243899       0.30559496       0.29794122 
           0.42463654       0.82843425       0.52001349 
           0.87853866       0.30944279       0.68648001 
           0.05994200       0.71041096       0.48165138 
           0.58254917       0.12094254       0.28645400 
   
  
  
           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 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.50000000       0.50000000       0.00000000 
          0.50000000       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 
   
  
  
          0.66227173       0.07179048       0.68227597 
          0.72772543       0.85968004       0.11160634 
          0.14336043       0.56579220       0.01102850 
          0.49952956       0.83277416       0.46990927 
          0.56799857       0.72213451       0.44474825 
          0.02414437       0.60798360       0.50023910 
          0.87514388       0.22774626       0.22866796 
          0.81441471       0.32872092       0.36371477 
          0.73383422       0.13206018       0.66241628 
          0.25187433       0.95632057       0.51967706 
          0.31702764       0.10833814       0.71423198 
          0.69337222       0.33351122       0.45527280 
          0.11488906       0.17021037       0.51516151 
          0.94831314       0.38963898       0.19384694 
          0.70355450       0.83607873       0.82697757 
          0.67281498       0.09565775       0.28373325 
          0.61916633       0.50100469       0.90026543 
          0.25763897       0.01205613       0.46797694 
          0.92243899       0.30559496       0.29794122 
          0.42463654       0.82843425       0.52001349 
          0.87853866       0.30944279       0.68648001 
          0.05994200       0.71041096       0.48165138 
          0.58254917       0.12094254       0.28645400 
  
 
 
  
       8.18    8.33
       8.43    8.58
   
          8.19223027 
       -253.14178907 
      -1090.12697976 
        101.33543942 
       1193.74450417 
      -1163.95454741 
          0.00268847 
       -249.05811978 
       1678.55807637 
        225.55150268 
        225.54881420 
        225.55060652 
   
  
  
      13.14   13.15
      13.15   13.15
   
        -12.28628866 
        -12.27313796 
        -12.28190509 
   
  
  
      11.27   11.28
      11.28   11.28
   
        -75.60506923 
        -75.65263578 
        -75.62092474 
   
  
  
      11.35   11.35
      11.35   11.35
   
        -78.80685893 
        -78.87821247 
        -78.83064344 
   
  
  
      11.31   11.32
      11.37   11.38
   
        -78.90558436 
        -78.97724094 
        -78.92946988 
   
  
  
      10.21   10.22
      10.52   10.53
   
        -85.49815991 
        -85.45002915 
        -85.48211632 
   
  
  
       9.35    9.37
       9.64    9.66
   
        -63.41467847 
        -63.41545970 
        -63.41493888 
   
  
  
      11.37   11.39
      11.67   11.69
   
        -62.72794493 
        -62.64330266 
        -62.69973084 
   
  
  
      11.98   11.98
      12.27   12.28
   
        -61.77878423 
        -61.73462696 
        -61.76406514 
   
  
  
      10.75   10.76
      11.04   11.05
   
        -61.37609245 
        -61.42266921 
        -61.39161803 
   
  
  
      11.36   11.36
      11.66   11.66
   
        -60.53328145 
        -60.54400166 
        -60.53685485 
   
  
  
      11.00   11.01
      11.30   11.31
   
        -60.48450633 
        -60.46814428 
        -60.47905231 
   
  
  
      10.81   10.82
      11.12   11.12
   
        -60.53758271 
        -60.49811737 
        -60.52442760 
   
  
  
      10.78   10.79
      11.09   11.10
   
        -60.45379542 
        -60.38745604 
        -60.43168229 
   
  
  
      11.45   11.45
      11.74   11.75
   
        -60.38063886 
        -60.34832160 
        -60.36986644 
   
  
  
      11.04   11.05
      11.35   11.36
   
        -60.40024946 
        -60.36314705 
        -60.38788199 
   
  
  
      10.69   10.70
      11.00   11.01
   
        -60.53539580 
        -60.52413092 
        -60.53164084 
   
  
  
      10.64   10.65
      10.96   10.97
   
        -60.52600428 
        -60.51439077 
        -60.52213311 
   
  
  
      10.81   10.83
      11.11   11.13
   
        -60.51043334 
        -60.49310054 
        -60.50465574 
   
  
  
      10.86   10.87
      11.18   11.19
   
        -60.55521070 
        -60.53028046 
        -60.54690062 
   
  
  
      10.07   10.09
      10.37   10.39
   
        -60.58179510 
        -60.55196005 
        -60.57185009 
   
  
  
      10.44   10.45
      10.76   10.77
   
        -60.68488657 
        -60.68270755 
        -60.68416023 
   
  
  
       9.44    9.44
       9.75    9.75
   
        -60.62371184 
        -60.58897075 
        -60.61213148 
   
  
  
      10.29   10.30
      10.61   10.62
   
        -60.59950420 
        -60.57253292 
        -60.59051378 
   
  
  
       9.93    9.94
      10.23   10.24
   
        -60.60299646 
        -60.56266286 
        -60.58955192 
   
  
  
      10.06   10.07
      10.37   10.38
   
        -60.68402763 
        -60.64739783 
        -60.67181770 
   
  
  
       9.94    9.94
      10.25   10.25
   
        -60.80037825 
        -60.76267922 
        -60.78781191 
   
  
  
       9.45    9.47
       9.79    9.81
   
        -60.93363657 
        -60.93720996 
        -60.93482770 
   
  
  
      11.51   11.51
      11.82   11.83
   
        -61.04605521 
        -61.00248178 
        -61.03153074 
   
  
  
      11.00   11.01
      11.31   11.32
   
        -61.10337973 
        -61.05954264 
        -61.08876737 
   
  
  
       9.59    9.60
       9.90    9.91
   
        -61.12836509 
        -61.06000309 
        -61.10557776 
   
  
  
       9.39    9.40
       9.72    9.73
   
        -61.15565419 
        -61.12341808 
        -61.14490882 
   
  
  
      10.56   10.57
      10.88   10.89
   
        -61.12046582 
        -61.11981082 
        -61.12024749 
   
  
  
       9.30    9.31
       9.63    9.64
   
        -59.03063527 
        -58.97704486 
        -59.01277180 
   
  
  
      10.04   10.04
      10.37   10.37
   
        -59.82023263 
        -59.77381357 
        -59.80475961 
   
  
  
       9.73    9.74
      10.04   10.05
   
        -58.62325110 
        -58.56209018 
        -58.60286413 
   
  
  
       9.93    9.94
      10.25   10.26
   
        -56.82794871 
        -56.78141292 
        -56.81243678 
   
  
  
      10.38   10.39
      10.71   10.71
   
        -58.80091792 
        -58.70880748 
        -58.77021444