vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2026 02 02 
  23:19:22 
 
 
  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 
    
   
   
           0.66661688       0.07181958       0.67786907 
           0.72754141       0.85609009       0.10319332 
           0.14108887       0.56361560       0.01298225 
           0.50318516       0.82153314       0.46760521 
           0.58205171       0.72110461       0.43003677 
           0.02636526       0.61043354       0.49925431 
           0.88059738       0.27992758       0.23077757 
           0.78345149       0.31562567       0.36854576 
           0.72873442       0.12781647       0.66566738 
           0.25169933       0.96051625       0.51364887 
           0.31607963       0.11202698       0.71267012 
           0.72413293       0.32805788       0.42797362 
           0.11253776       0.16980006       0.51091078 
           0.93182731       0.35273866       0.18747383 
           0.70453159       0.84123656       0.84494378 
           0.68067679       0.09612735       0.28083376 
           0.62034032       0.50330672       0.90097622 
           0.25752461       0.00632549       0.47216604 
           0.93138981       0.31019146       0.32246324 
           0.40938609       0.84442008       0.52733494 
           0.87782500       0.30939882       0.68606957 
           0.05577322       0.71127360       0.48552774 
           0.57866197       0.11112689       0.28848379 
   
  
  
           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 
   
  
  
          0.66661688       0.07181958       0.67786907 
          0.72754141       0.85609009       0.10319332 
          0.14108887       0.56361560       0.01298225 
          0.50318516       0.82153314       0.46760521 
          0.58205171       0.72110461       0.43003677 
          0.02636526       0.61043354       0.49925431 
          0.88059738       0.27992758       0.23077757 
          0.78345149       0.31562567       0.36854576 
          0.72873442       0.12781647       0.66566738 
          0.25169933       0.96051625       0.51364887 
          0.31607963       0.11202698       0.71267012 
          0.72413293       0.32805788       0.42797362 
          0.11253776       0.16980006       0.51091078 
          0.93182731       0.35273866       0.18747383 
          0.70453159       0.84123656       0.84494378 
          0.68067679       0.09612735       0.28083376 
          0.62034032       0.50330672       0.90097622 
          0.25752461       0.00632549       0.47216604 
          0.93138981       0.31019146       0.32246324 
          0.40938609       0.84442008       0.52733494 
          0.87782500       0.30939882       0.68606957 
          0.05577322       0.71127360       0.48552774 
          0.57866197       0.11112689       0.28848379 
  
 
 
  
       9.97   10.03
      10.22   10.28
   
          8.19223027 
       -228.68597140 
      -1100.56873315 
        102.17804252 
       1193.74450417 
      -1163.95454741 
          0.00628608 
       -258.50137983 
       1678.55807637 
        230.96850761 
        230.96222153 
        230.96641225 
   
  
  
      13.42   13.43
      13.42   13.43
   
        -17.05034041 
        -17.05150547 
        -17.05072877 
   
  
  
      11.10   11.11
      11.10   11.11
   
        -82.43834377 
        -82.48438258 
        -82.45369004 
   
  
  
      10.32   10.32
      10.32   10.32
   
        -85.67595446 
        -85.73373049 
        -85.69521314 
   
  
  
      12.30   12.31
      12.37   12.38
   
        -85.78016820 
        -85.83863402 
        -85.79965681 
   
  
  
      11.21   11.21
      11.52   11.53
   
        -97.36782590 
        -97.24424160 
        -97.32663114 
   
  
  
      10.92   10.93
      11.24   11.25
   
        -72.32957855 
        -72.35255915 
        -72.33723875 
   
  
  
      10.82   10.85
      11.14   11.17
   
        -68.38173355 
        -68.35812662 
        -68.37386457 
   
  
  
      12.17   12.18
      12.49   12.49
   
        -67.49634975 
        -67.40945338 
        -67.46738430 
   
  
  
      11.28   11.29
      11.60   11.61
   
        -66.41842035 
        -66.31901692 
        -66.38528587 
   
  
  
      10.96   10.96
      11.26   11.27
   
        -65.35617413 
        -65.30977199 
        -65.34070675 
   
  
  
      10.58   10.59
      10.88   10.89
   
        -65.09928847 
        -65.02501719 
        -65.07453138 
   
  
  
      10.75   10.76
      11.05   11.06
   
        -64.40552807 
        -64.37204840 
        -64.39436818 
   
  
  
      10.23   10.24
      10.53   10.53
   
        -65.62986929 
        -65.64784097 
        -65.63585985 
   
  
  
      10.25   10.26
      10.55   10.56
   
        -65.84165256 
        -65.90218223 
        -65.86182912 
   
  
  
       9.83    9.85
      10.13   10.15
   
        -66.06831520 
        -66.06599623 
        -66.06754221 
   
  
  
      10.42   10.43
      10.73   10.74
   
        -66.17229886 
        -66.20261711 
        -66.18240494 
   
  
  
      10.31   10.32
      10.62   10.63
   
        -66.06739364 
        -66.08523003 
        -66.07333911 
   
  
  
      10.39   10.40
      10.71   10.71
   
        -66.18125453 
        -66.17872894 
        -66.18041267 
   
  
  
      10.50   10.51
      10.80   10.81
   
        -66.18848334 
        -66.18648405 
        -66.18781691 
   
  
  
       9.65    9.65
       9.96    9.97
   
        -66.18105228 
        -66.16940911 
        -66.17717122 
   
  
  
       9.93    9.94
      10.25   10.26
   
        -66.22127975 
        -66.20541357 
        -66.21599103 
   
  
  
      11.14   11.15
      11.45   11.46
   
        -66.23394136 
        -66.21827710 
        -66.22871994 
   
  
  
       9.50    9.51
       9.82    9.83
   
        -66.20707401 
        -66.20614932 
        -66.20676578 
   
  
  
      10.18   10.20
      10.50   10.52
   
        -66.26966255 
        -66.30679490 
        -66.28204000 
   
  
  
      10.83   10.84
      11.14   11.15
   
        -66.28842394 
        -66.32483683 
        -66.30056157 
   
  
  
       9.53    9.54
       9.84    9.85
   
        -66.22149711 
        -66.26285748 
        -66.23528390 
   
  
  
      10.45   10.46
      10.76   10.77
   
        -66.22931559 
        -66.26947612 
        -66.24270243 
   
  
  
       9.88    9.91
      10.20   10.22
   
        -66.52210742 
        -66.55747572 
        -66.53389685 
   
  
  
       9.74    9.75
      10.05   10.06
   
        -66.52477160 
        -66.56049465 
        -66.53667928 
   
  
  
      10.11   10.12
      10.43   10.44
   
        -66.92070388 
        -66.91545673 
        -66.91895483 
   
  
  
      11.12   11.12
      11.44   11.44
   
        -67.08601140 
        -67.07721421 
        -67.08307900 
   
  
  
       9.83    9.84
      10.15   10.16
   
        -67.15256578 
        -67.14954435 
        -67.15155864 
   
  
  
       9.88    9.89
      10.21   10.22
   
        -66.88649019 
        -66.89613344 
        -66.88970461 
   
  
  
       9.54    9.55
       9.86    9.86
   
        -66.59898406 
        -66.61113096 
        -66.60303303 
   
  
  
      10.47   10.48
      10.82   10.83
   
        -66.83590585 
        -66.85604288 
        -66.84261819 
   
  
  
       9.63    9.64
       9.96    9.98
   
        -66.92648957 
        -66.94896545 
        -66.93398153 
   
  
  
       9.70    9.71
      10.03   10.04
   
        -63.13898854 
        -63.13414007 
        -63.13737238 
   
  
  
       9.93    9.94
      10.26   10.28
   
        -36.16692962 
        -36.15419420 
        -36.16268448 
   
  
  
      10.54   10.55
      10.87   10.88
   
        -33.57553249 
        -33.62358579 
        -33.59155025 
   
  
  
      10.63   10.65
      10.97   10.98
   
        -30.22013998 
        -30.26828715 
        -30.23618904 
   
  
  
      11.22   11.23
      11.56   11.57
   
        -29.67221740 
        -29.72588987 
        -29.69010822 
   
  
  
      11.01   11.03
      11.35   11.36
   
        -29.24444957 
        -29.29921341 
        -29.26270419 
   
  
  
      10.70   10.71
      11.04   11.05
   
        -26.91497949 
        -26.97196113 
        -26.93397337 
   
  
  
      11.12   11.13
      11.47   11.47
   
        -25.61210664 
        -25.66796071 
        -25.63072466 
   
  
  
      11.44   11.46
      11.78   11.80
   
        -24.63222031 
        -24.68638698 
        -24.65027587 
   
  
  
      10.45   10.47
      10.79   10.81
   
        -24.66110820 
        -24.71605519 
        -24.67942386 
   
  
  
       9.97    9.98
      10.31   10.32
   
        -21.50501380 
        -21.52374268 
        -21.51125676 
   
  
  
      10.14   10.16
      10.48   10.49
   
        -19.91158728 
        -19.89723791 
        -19.90680416 
   
  
  
      10.67   10.69
      11.01   11.03
   
        -17.04273429 
        -17.02624286 
        -17.03723715 
   
  
  
       9.43    9.44
       9.76    9.77
   
        -14.97530598 
        -15.00088975 
        -14.98383391 
   
  
  
      10.98   10.99
      11.32   11.33
   
        -12.83123815 
        -12.84621753 
        -12.83623128 
   
  
  
      10.29   10.30
      10.64   10.65
   
        -14.78692741 
        -14.79882432 
        -14.79089304 
   
  
  
      10.64   10.65
      10.98   10.99
   
        -17.48135217 
        -17.53207802 
        -17.49826078 
   
  
  
      11.59   11.60
      11.93   11.95
   
        -20.00969479 
        -20.02532758 
        -20.01490572 
   
  
  
       9.09    9.12
       9.43    9.46
   
         29.79853393 
         29.76002862 
         29.78569883 
   
  
  
       8.95    8.95
       9.27    9.27
   
         33.94186111 
         33.91892105 
         33.93421442 
   
  
  
       9.79    9.80
      10.14   10.15
   
         35.87819807 
         35.88106701 
         35.87915438 
   
  
  
       9.12    9.12
       9.44    9.45
   
         32.66690508 
         32.68774452 
         32.67385156 
   
  
  
       9.49    9.50
       9.82    9.83
   
         28.12712031 
         28.13422994 
         28.12949019 
   
  
  
       8.26    8.27
       8.59    8.59
   
         20.89900391 
         20.88981619 
         20.89594133 
   
  
  
      11.30   11.31
      11.62   11.63
   
         20.58399531 
         20.57624351 
         20.58141138 
   
  
  
       9.63    9.64
       9.96    9.97
   
         18.44462520 
         18.43342643 
         18.44089227 
   
  
  
       8.60    8.61
       8.94    8.94
   
         23.18260335 
         23.17035551 
         23.17852073 
   
  
  
       9.64    9.65
       9.96    9.97
   
         24.43493265 
         24.41791388 
         24.42925972 
   
  
  
       9.60    9.61
       9.92    9.93
   
        -51.85905605 
        -51.79240810 
        -51.83684007 
   
  
  
       9.08    9.09
       9.41    9.42
   
        -60.12253781 
        -60.10429479 
        -60.11645680 
   
  
  
       9.95    9.96
      10.27   10.28
   
        -60.98015210 
        -60.94742732 
        -60.96924384 
   
  
  
       8.52    8.54
       8.85    8.86
   
        -61.17964688 
        -61.14685986 
        -61.16871787 
   
  
  
      10.07   10.07
      10.39   10.40
   
        -60.72125467 
        -60.65532159 
        -60.69927698 
   
  
  
       8.50    8.50
       8.82    8.83
   
        -56.15328509 
        -56.17234123 
        -56.15963713 
   
  
  
       8.75    8.76
       9.08    9.08
   
        -55.09000913 
        -55.08210618 
        -55.08737481 
   
  
  
      10.08   10.09
      10.40   10.41
   
        -55.15166319 
        -55.14077834 
        -55.14803491 
   
  
  
       9.18    9.19
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       9.23    9.23
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       8.50    8.51
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      10.15   10.16
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