vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 31 
  19:55:10 
 
 
  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 
    
   
   
           0.02426282       0.18570409       0.60065584 
           0.98936129       0.68787752       0.68522891 
           0.59630591       0.21094963       0.43366954 
           0.23679528       0.60874744       0.73947790 
           0.30098910       0.06163200       0.92580465 
           0.64970901       0.85613522       0.78547802 
           0.40518602       0.06705563       0.53986253 
           0.24345690       0.53185063       0.75147468 
           0.12949372       0.86401292       0.21099297 
           0.33559282       0.32562877       0.47288955 
           0.62608148       0.12869970       0.34232174 
           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 
   
  
  
          0.02426282       0.18570409       0.60065584 
          0.98936129       0.68787752       0.68522891 
          0.59630591       0.21094963       0.43366954 
          0.23679528       0.60874744       0.73947790 
          0.30098910       0.06163200       0.92580465 
          0.64970901       0.85613522       0.78547802 
          0.40518602       0.06705563       0.53986253 
          0.24345690       0.53185063       0.75147468 
          0.12949372       0.86401292       0.21099297 
          0.33559282       0.32562877       0.47288955 
          0.62608148       0.12869970       0.34232174 
          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 
  
 
 
  
       6.80    6.93
       7.08    7.21
   
          2.18778779 
       -121.34416628 
       -692.10000973 
         42.89397595 
        741.62526794 
       -709.47216318 
          0.00267718 
       -123.73969314 
       1002.69875223 
        142.75242875 
        142.74975157 
        142.75153635 
   
  
  
       9.41    9.42
       9.41    9.42
   
         17.42663511 
         17.43756007 
         17.43027677 
   
  
  
       7.79    7.81
       7.80    7.81
   
        -27.16622789 
        -27.18289771 
        -27.17178450 
   
  
  
       7.70    7.71
       7.70    7.71
   
        -29.64338632 
        -29.64975656 
        -29.64550973 
   
  
  
       8.30    8.31
       8.36    8.37
   
        -29.68737079 
        -29.69372619 
        -29.68948926 
   
  
  
       7.34    7.35
       7.65    7.66
   
        -26.02506464 
        -26.03089848 
        -26.02700925 
   
  
  
       8.92    8.94
       9.24    9.26
   
      -7333.77123786 
      -7333.76895446 
      -7333.77047673 
   
  
  
       6.54    6.55
       6.87    6.88
   
         -3.93438267 
         -3.90192510 
         -3.92356348 
   
  
  
       7.16    7.17
       7.47    7.48
   
        -19.56412851 
        -19.59056961 
        -19.57294221 
   
  
  
       7.31    7.33
       7.61    7.63
   
        -20.82999397 
        -20.70089690 
        -20.78696161 
   
  
  
       7.21    7.22
       7.49    7.51
   
        -22.41421408 
        -22.37900285 
        -22.40247700 
   
  
  
       7.37    7.39
       7.68    7.70
   
        -25.87755160 
        -25.85971703 
        -25.87160674 
   
  
  
       7.42    7.44
       7.73    7.75
   
        -25.45232615 
        -25.45133260 
        -25.45199496 
   
  
  
       7.39    7.41
       7.69    7.71
   
        -26.87580176 
        -26.90394437 
        -26.88518263 
   
  
  
       8.85    8.87
       9.16    9.17
   
        -40.27340747 
        -40.24747301 
        -40.26476265 
   
  
  
       6.27    6.29
       6.58    6.59
   
        -23.24310540 
        -23.24998351 
        -23.24539810 
   
  
  
       6.96    6.97
       7.28    7.30
   
        -27.11481696 
        -27.13540781 
        -27.12168058 
   
  
  
       6.94    6.96
       7.25    7.26
   
        -22.18344366 
        -22.20465629 
        -22.19051454 
   
  
  
       6.99    7.01
       7.29    7.31
   
        -24.74230539 
        -24.76578737 
        -24.75013271 
   
  
  
       7.07    7.08
       7.39    7.40
   
        -27.46150895 
        -27.49202597 
        -27.47168129 
   
  
  
       7.27    7.29
       7.58    7.59
   
        -27.73193716 
        -27.74589091 
        -27.73658841 
   
  
  
       7.61    7.62
       7.93    7.95
   
        -24.47834221 
        -24.44885267 
        -24.46851237 
   
  
  
       6.91    6.93
       7.23    7.24
   
        -27.97935319 
        -27.92504202 
        -27.96124947 
   
  
  
       7.39    7.41
       7.71    7.72
   
        -28.61556096 
        -28.56544855 
        -28.59885682 
   
  
  
       7.61    7.63
       7.93    7.94
   
        -28.53377017 
        -28.48305903 
        -28.51686646 
   
  
  
       6.79    6.80
       7.12    7.13
   
        -28.13286107 
        -28.07824746 
        -28.11465653 
   
  
  
       7.25    7.26
       7.57    7.59
   
        -28.13688262 
        -28.08387222 
        -28.11921248 
   
  
  
       6.43    6.44
       6.75    6.76
   
        -27.84873390 
        -27.79646145 
        -27.83130975 
   
  
  
       7.02    7.03
       7.36    7.38
   
        -27.82157792 
        -27.76367709 
        -27.80227765 
   
  
  
       7.37    7.39
       7.73    7.75
   
        -27.82703877 
        -27.76835715 
        -27.80747823 
   
  
  
       6.68    6.70
       7.04    7.05
   
        -27.81888721 
        -27.75703724 
        -27.79827056 
   
  
  
       7.28    7.30
       7.63    7.64
   
        -27.79314001 
        -27.72915318 
        -27.77181106 
   
  
  
       6.92    6.93
       7.24    7.26
   
        -27.78211360 
        -27.72346409 
        -27.76256377 
   
  
  
       6.36    6.38
       6.71    6.72
   
        -22.04137907 
        -22.01194912 
        -22.03156909 
   
  
  
       7.74    7.75
       8.07    8.08
   
        -27.71776275 
        -27.68489626 
        -27.70680725 
   
  
  
      10.17   10.19
      10.50   10.51
   
      -4174.24671008 
      -4174.23304858 
      -4174.24215625 
   
  
  
       6.97    6.98
       7.31    7.32
   
        -18.08934476 
        -18.04686669 
        -18.07518541 
   
  
  
       7.70    7.72
       8.08    8.10
   
        -30.59735919 
        -30.62039446 
        -30.60503762 
   
  
  
       7.99    8.00
       8.31    8.32
   
        -26.66224911 
        -26.70127699 
        -26.67525840 
   
  
  
       7.81    7.83
       8.17    8.19
   
        -24.79567897 
        -24.80479002 
        -24.79871599 
   
  
  
       8.31    8.32
       8.67    8.68
   
        -24.84047504 
        -24.82378207 
        -24.83491072 
   
  
  
       7.51    7.53
       7.84    7.86
   
        -28.24033158 
        -28.23849348 
        -28.23971888 
   
  
  
       6.57    6.58
       6.92    6.93
   
        -20.37857265 
        -20.37182056 
        -20.37632195 
   
  
  
       6.69    6.71
       7.03    7.04
   
        -26.83706186 
        -26.82495231 
        -26.83302534 
   
  
  
       7.18    7.19
       7.51    7.52
   
        -27.15501591 
        -27.12131275 
        -27.14378152 
   
  
  
       7.83    7.85
       8.17    8.18
   
        -26.87648581 
        -26.83619619 
        -26.86305594 
   
  
  
       7.31    7.32
       7.65    7.66
   
        -26.26472249 
        -26.22755107 
        -26.25233202 
   
  
  
       8.37    8.39
       8.72    8.74
   
      -5220.81406253 
      -5220.81305908 
      -5220.81372805 
   
  
  
       6.45    6.46
       6.80    6.82
   
        -13.31462938 
        -13.32830234 
        -13.31918704 
   
  
  
       7.89    7.90
       8.23    8.24
   
        -21.33093539 
        -21.30291958 
        -21.32159679 
   
  
  
       7.09    7.10
       7.44    7.46
   
        -26.71911429 
        -26.64974145 
        -26.69599001 
   
  
  
       9.60    9.62
       9.98   10.00
   
       -216.44735646 
       -216.43136712 
       -216.44202668 
   
  
  
       6.60    6.61
       6.95    6.97
   
        -21.69118083 
        -21.65465186 
        -21.67900451 
   
  
  
       7.48    7.49
       7.80    7.81
   
        -26.07166461 
        -26.02439663 
        -26.05590862 
   
  
  
       6.87    6.88
       7.19    7.20
   
        -19.29429855 
        -19.27049060 
        -19.28636256 
   
  
  
       5.72    5.74
       6.08    6.10
   
        -28.81260135 
        -28.79448660 
        -28.80656310 
   
  
  
       5.09    5.10
       5.44    5.45
   
        -22.89538443 
        -22.86118913 
        -22.88398600 
   
  
  
       5.22    5.23
       5.60    5.61
   
        -21.10483138 
        -21.07980641 
        -21.09648972 
   
  
  
       5.02    5.03
       5.35    5.36
   
        -23.84165239 
        -23.81884263 
        -23.83404914 
   
  
  
       4.69    4.70
       5.04    5.05
   
        -24.90722003 
        -24.88484778 
        -24.89976261 
   
  
  
       4.36    4.37
       4.69    4.70
   
        -23.30545515 
        -23.28944047 
        -23.30011692 
   
  
  
       4.26    4.27
       4.60    4.61
   
        -23.99517002 
        -23.95274240 
        -23.98102748 
   
  
  
       5.16    5.17
       5.49    5.51
   
        -43.28160374 
        -43.25561533 
        -43.27294094 
   
  
  
       4.05    4.06
       4.42    4.43
   
        -21.61206956 
        -21.60084018 
        -21.60832644 
   
  
  
       3.89    3.90
       4.27    4.28
   
        -26.42489992 
        -26.40546742 
        -26.41842242 
   
  
  
       4.39    4.40
       4.75    4.76
   
        -23.92952104 
        -23.90169568 
        -23.92024592 
   
  
  
       4.14    4.15
       4.50    4.51
   
        -27.34813284 
        -27.30405625 
        -27.33344064 
   
  
  
       4.32    4.33
       4.65    4.66
   
        -30.07432403 
        -30.02636790 
        -30.05833865 
   
  
  
       4.28    4.29
       4.62    4.63
   
        -29.21962687 
        -29.16731404 
        -29.20218926 
   
  
  
       3.96    3.97
       4.29    4.30
   
        -26.50382837 
        -26.46880714 
        -26.49215463 
   
  
  
       4.61    4.62
       4.95    4.96
   
        -30.77806776 
        -30.73453135 
        -30.76355563 
   
  
  
       3.86    3.87
       4.19    4.20
   
        -16.88598501 
        -16.85328260 
        -16.87508421 
   
  
  
       4.35    4.36
       4.67    4.68
   
        -27.45108926 
        -27.41295750 
        -27.43837867 
   
  
  
       3.99    4.00
       4.32    4.34
   
        -25.24797597 
        -25.20828296 
        -25.23474496 
   
  
  
       4.85    4.85
       5.19    5.20
   
        -32.19710416 
        -32.14644133 
        -32.18021655 
   
  
  
       4.09    4.10
       4.42    4.43
   
        -28.47050178 
        -28.41467588 
        -28.45189315 
   
  
  
       4.53    4.54
       4.86    4.86
   
        -59.83563171 
        -59.80604501 
        -59.82576948 
   
  
  
       4.05    4.06
       4.37    4.38
   
        -20.84651192 
        -20.82428627 
        -20.83910337 
   
  
  
       3.87    3.88
       4.19    4.20
   
        -26.49703922 
        -26.47940679 
        -26.49116174 
   
  
  
       4.30    4.31
       4.62    4.62
   
        -25.41363499 
        -25.39116867 
        -25.40614622 
   
  
  
       4.32    4.33
       4.64    4.65
   
        -47.42158030 
        -47.38175342 
        -47.40830467 
   
  
  
       3.02    3.03
       3.33    3.34
   
        -17.96751879 
        -17.94814345 
        -17.96106034 
   
  
  
       4.04    4.05
       4.41    4.42
   
        -17.90150695 
        -17.85626485 
        -17.88642625 
   
  
  
       3.41    3.42
       3.74    3.75
   
        -27.00940520 
        -26.97114007 
        -26.99665016 
   
  
  
       3.14    3.15
       3.48    3.49
   
        -20.31005358 
        -20.29632909 
        -20.30547875 
   
  
  
       4.21    4.22
       4.54    4.55
   
     -11827.11035098 
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       3.33    3.34
       3.64    3.65
   
        -18.05120878 
        -18.06033111 
        -18.05424956 
   
  
  
       2.96    2.97
       3.28    3.30
   
        -18.51865456 
        -18.47359867 
        -18.50363593 
   
  
  
       3.60    3.61
       3.93    3.93
   
        -26.50352830 
        -26.46178712 
        -26.48961458 
   
  
  
       3.46    3.46
       3.81    3.82
   
        -22.25423826 
        -22.21018849 
        -22.23955501 
   
  
  
       3.55    3.55
       3.92    3.92
   
        -18.98221435 
        -18.94202497 
        -18.96881789 
   
  
  
       4.08    4.09
       4.45    4.46
   
      -5749.06271113 
      -5749.01556866 
      -5749.04699697 
   
  
  
       3.20    3.21
       3.54    3.54
   
        -19.67569997 
        -19.66078978 
        -19.67072991 
   
  
  
       3.32    3.33
       3.67    3.68
   
        -24.81145197 
        -24.77621706 
        -24.79970700 
   
  
  
       3.68    3.69
       3.99    4.00
   
        -26.78445831 
        -26.75002728 
        -26.77298130 
   
  
  
       4.03    4.04
       4.35    4.36
   
        -46.96239911 
        -46.92381535 
        -46.94953786 
   
  
  
       3.04    3.04
       3.39    3.40
   
        -27.42470492 
        -27.40308008 
        -27.41749664 
   
  
  
       3.32    3.34
       3.64    3.65
   
        -28.00886182 
        -27.98311376 
        -28.00027914 
   
  
  
       3.74    3.74
       4.05    4.06
   
        -27.93344908 
        -27.90765169 
        -27.92484995 
   
  
  
       3.17    3.18
       3.48    3.50
   
        -27.97247852 
        -27.95330053 
        -27.96608585 
   
  
  
       3.32    3.33
       3.63    3.64
   
        -27.98771137 
        -27.98803038 
        -27.98781770 
   
  
  
       3.66    3.67
       3.99    4.00
   
        -26.15237147 
        -26.17096560 
        -26.15856952 
   
  
  
       4.83    4.84
       5.16    5.17
   
      -9745.92589598 
      -9745.92403085 
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       3.16    3.17
       3.48    3.49
   
        -12.43453145 
        -12.41154590 
        -12.42686960 
   
  
  
       4.35    4.36
       4.69    4.70
   
       -374.42629534 
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       3.50    3.51
       3.82    3.83
   
        -18.08572251 
        -18.09174355 
        -18.08772952 
   
  
  
       3.73    3.74
       4.04    4.05
   
        -25.80895345 
        -25.79233325 
        -25.80341338 
   
  
  
       3.63    3.64
       3.94    3.95
   
        -28.52368382 
        -28.46998625 
        -28.50578463 
   
  
  
       3.53    3.54
       3.86    3.87
   
        -24.79556238 
        -24.74688386 
        -24.77933621 
   
  
  
       4.91    4.92
       5.23    5.24
   
      -3655.74179890 
      -3655.68578266 
      -3655.72312682 
   
  
  
       3.32    3.33
       3.64    3.64
   
      -4473.44624088 
      -4473.47848759 
      -4473.45698978 
   
  
  
       3.49    3.50
       3.81    3.82
   
        -18.30133525 
        -18.26772449 
        -18.29013166 
   
  
  
       3.51    3.52
       3.82    3.83
   
        -23.14414765 
        -23.10093844 
        -23.12974458 
   
  
  
       3.62    3.63
       3.96    3.97
   
        -25.75358802 
        -25.70031121 
        -25.73582908 
   
  
  
       3.77    3.78
       4.09    4.10
   
        -26.51146407 
        -26.46257441 
        -26.49516752 
   
  
  
       3.68    3.69
       3.99    4.00
   
        -25.86803846 
        -25.82449711 
        -25.85352467