vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 29 
  14:21:17 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        0.77000000      1.11000000      0.73000000      0.75000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           30.00000000       0.00000000       0.00000000 
            0.00000000      20.00000000       0.00000000 
            0.00000000       0.00000000      15.00000000 
    
       9000.00000000 
    
            0.03333333       0.00000000       0.00000000 
            0.00000000       0.05000000       0.00000000 
            0.00000000       0.00000000       0.06666667 
    
   
   
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           0.35303481       0.54087475       0.34838237 
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           0.36727969       0.42263658       0.47337839 
           0.61276911       0.57348735       0.45031733 
           0.65006926       0.72410666       0.45390583 
           0.64323867       0.42094892       0.44750287 
           0.57866197       0.31975463       0.37775638 
           0.57368956       0.36589300       0.57307673 
           0.27441671       0.52521996       0.17497219 
           0.30094623       0.51099187       0.34308347 
           0.18543305       0.56250961       0.13884837 
           0.12551211       0.59773162       0.25946073 
           0.61125989       0.58188430       0.34052825 
           0.63249174       0.49847541       0.47483988 
           0.64557133       0.71376993       0.34323147 
           0.69767099       0.76504934       0.46913954 
           0.38767802       0.47724428       0.38985051 
           0.33851683       0.46148024       0.55779233 
           0.46487877       0.55584575       0.35650832 
           0.59783993       0.36860893       0.46446001 
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           0.24851071       0.54450413       0.14342554 
           0.25460585       0.37541841       0.33086573 
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           0.23295816       0.38099113       0.22051837 
           0.10278012       0.46308702       0.16513186 
           0.11390762       0.43912958       0.27753267 
           0.15200147       0.41735476       0.19163748 
           0.16701870       0.58563268       0.09536564 
           0.09706533       0.58577906       0.28595712 
           0.36938985       0.56034543       0.25754703 
           0.35197865       0.59928323       0.40907313 
           0.46649482       0.42303014       0.40265495 
           0.44438783       0.45910426       0.25202969 
           0.33600691       0.37442233       0.43242541 
           0.40671771       0.38943057       0.51172273 
           0.30645954       0.47771784       0.54713618 
           0.35449444       0.49137162       0.60208249 
           0.48726215       0.57114751       0.30877558 
           0.47080335       0.57798316       0.41647101 
           0.64851494       0.63917111       0.57195629 
           0.68612714       0.61835752       0.48635839 
           0.62317508       0.62455457       0.31946516 
           0.55583692       0.56949328       0.57105662 
           0.53320533       0.54340845       0.46750806 
           0.54130599       0.63030165       0.48875819 
           0.60191245       0.82496238       0.46900969 
           0.60461839       0.78009624       0.57179083 
           0.57066693       0.75037400       0.48320456 
           0.65385500       0.75074972       0.30570723 
           0.69814388       0.80066579       0.51430736 
           0.65505374       0.41604334       0.35012042 
           0.68251317       0.40049893       0.50164322 
           0.53670503       0.28741068       0.40918129 
           0.57026778       0.36257783       0.29648146 
           0.53650876       0.41504757       0.57702420 
           0.55622990       0.29647469       0.58290182 
           0.61514221       0.42905315       0.67242433 
           0.63382848       0.35781120       0.67061579 
           0.63890625       0.26823666       0.29433772 
           0.62328002       0.21907929       0.38152451 
   
  
  
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          59 
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          61 
          62 
          63 
          64 
          65 
          66 
          67 
          68 
          69 
          70 
          71 
          72 
  
 
 
  
          1        1        1 
         0.00000000       0.00000000       0.00000000 
         1.00000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
      129
       -1
       -1
       184.00000000
        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
   
   
         1
     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      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      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      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      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      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
           0.00000002
           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
   
  
  
      150
       98
       80
      300
      196
      160
    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
         0.77000000      1.11000000      0.73000000      0.75000000      0.32000000
      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
  
  
        3
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        12.01100000     28.08500000     16.00000000     14.00100000      1.00000000
         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
        75.00000000
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
        -1.00000000
         0.00200000
        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
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    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  
  
 
 
        72 
         5 
  
   ion
   element
   atomtype
   
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    N    4
    N    4
    N    4
    N    4
    N    4
    N    4
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       6C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      10Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       8O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       6N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
      42H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          30.00000000       0.00000000       0.00000000 
           0.00000000      20.00000000       0.00000000 
           0.00000000       0.00000000      15.00000000 
   
      9000.00000000 
   
           0.03333333       0.00000000       0.00000000 
           0.00000000       0.05000000       0.00000000 
           0.00000000       0.00000000       0.06666667 
   
  
  
          0.20765257       0.52826163       0.31427946 
          0.25965121       0.39803840       0.26490984 
          0.12934874       0.45701308       0.21521545 
          0.65230854       0.63763080       0.49879786 
          0.55567838       0.57976160       0.49929370 
          0.60266671       0.77458248       0.49878438 
          0.26145100       0.49131179       0.27236330 
          0.16090688       0.53682040       0.23305768 
          0.35303481       0.54087475       0.34838237 
          0.44238449       0.47612587       0.34888737 
          0.36727969       0.42263658       0.47337839 
          0.61276911       0.57348735       0.45031733 
          0.65006926       0.72410666       0.45390583 
          0.64323867       0.42094892       0.44750287 
          0.57866197       0.31975463       0.37775638 
          0.57368956       0.36589300       0.57307673 
          0.27441671       0.52521996       0.17497219 
          0.30094623       0.51099187       0.34308347 
          0.18543305       0.56250961       0.13884837 
          0.12551211       0.59773162       0.25946073 
          0.61125989       0.58188430       0.34052825 
          0.63249174       0.49847541       0.47483988 
          0.64557133       0.71376993       0.34323147 
          0.69767099       0.76504934       0.46913954 
          0.38767802       0.47724428       0.38985051 
          0.33851683       0.46148024       0.55779233 
          0.46487877       0.55584575       0.35650832 
          0.59783993       0.36860893       0.46446001 
          0.61032467       0.38564863       0.66169714 
          0.61285158       0.25774580       0.34073494 
          0.19597811       0.49941440       0.37245347 
          0.21547247       0.57924053       0.33824023 
          0.24851071       0.54450413       0.14342554 
          0.25460585       0.37541841       0.33086573 
          0.29140316       0.37909354       0.23832853 
          0.23295816       0.38099113       0.22051837 
          0.10278012       0.46308702       0.16513186 
          0.11390762       0.43912958       0.27753267 
          0.15200147       0.41735476       0.19163748 
          0.16701870       0.58563268       0.09536564 
          0.09706533       0.58577906       0.28595712 
          0.36938985       0.56034543       0.25754703 
          0.35197865       0.59928323       0.40907313 
          0.46649482       0.42303014       0.40265495 
          0.44438783       0.45910426       0.25202969 
          0.33600691       0.37442233       0.43242541 
          0.40671771       0.38943057       0.51172273 
          0.30645954       0.47771784       0.54713618 
          0.35449444       0.49137162       0.60208249 
          0.48726215       0.57114751       0.30877558 
          0.47080335       0.57798316       0.41647101 
          0.64851494       0.63917111       0.57195629 
          0.68612714       0.61835752       0.48635839 
          0.62317508       0.62455457       0.31946516 
          0.55583692       0.56949328       0.57105662 
          0.53320533       0.54340845       0.46750806 
          0.54130599       0.63030165       0.48875819 
          0.60191245       0.82496238       0.46900969 
          0.60461839       0.78009624       0.57179083 
          0.57066693       0.75037400       0.48320456 
          0.65385500       0.75074972       0.30570723 
          0.69814388       0.80066579       0.51430736 
          0.65505374       0.41604334       0.35012042 
          0.68251317       0.40049893       0.50164322 
          0.53670503       0.28741068       0.40918129 
          0.57026778       0.36257783       0.29648146 
          0.53650876       0.41504757       0.57702420 
          0.55622990       0.29647469       0.58290182 
          0.61514221       0.42905315       0.67242433 
          0.63382848       0.35781120       0.67061579 
          0.63890625       0.26823666       0.29433772 
          0.62328002       0.21907929       0.38152451 
  
 
 
  
       7.37    7.38
      16.43   16.43
   
         12.76274539 
      14199.40143931 
     -19712.21290520 
        423.98790883 
       5623.99163154 
      -5473.38338495 
         -0.00237223 
      -1103.87067925 
       7482.47896021 
       1453.15334364 
       1453.15571586 
       1453.15413438 
   
  
  
       8.56    8.56
       8.57    8.56
   
        226.77546425 
        226.74592061 
        226.76561637 
   
  
  
       7.84    7.84
       7.85    7.85
   
       -361.68535539 
       -361.70247059 
       -361.69106046 
   
  
  
       6.87    6.87
       6.87    6.87
   
       -433.09863405 
       -433.14110991 
       -433.11279267 
   
  
  
       7.22    7.22
       8.61    8.61
   
       -434.70460123 
       -434.74737778 
       -434.71886008 
   
  
  
       6.79    6.80
      17.63   17.62
   
       -388.16657229 
       -388.20572392 
       -388.17962283 
   
  
  
       7.11    7.10
      17.82   17.81
   
       -384.67567768 
       -384.70187727 
       -384.68441088 
   
  
  
       7.03    7.03
      17.66   17.64
   
       -383.22039942 
       -383.25194853 
       -383.23091579 
   
  
  
       6.61    6.61
      17.33   17.32
   
       -382.65760398 
       -382.67874488 
       -382.66465095 
   
  
  
       5.93    5.93
      16.66   16.65
   
       -382.58229332 
       -382.62024256 
       -382.59494306 
   
  
  
       5.39    5.40
      15.95   15.94
   
       -382.56091623 
       -382.59886837 
       -382.57356694 
   
  
  
       5.58    5.58
      16.39   16.37
   
       -382.55017639 
       -382.58124570 
       -382.56053283 
   
  
  
       5.93    5.93
      16.96   16.94
   
       -382.52744338 
       -382.56759462 
       -382.54082713