vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 12 12 
  07:34:37 
 
 
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
       2
        0.00001000
       -0.02000000
     800
       2
       1
      400.00000000
        0.77000000      1.11000000      0.32000000
       -0.00200000     -0.00100000      0.00200000      0.00000000      0.00000000      0.00000000     -0.00100000      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
      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10600000
  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 
    
   
   
           0.45860875       0.59839102       0.45230398 
           0.25154605       0.77139041       0.59889360 
           0.17412543       0.63262510       0.33606849 
           0.21117893       0.46793818       0.59377391 
           0.42601210       0.34891847       0.26363620 
           0.55051057       0.31624186       0.54488531 
           0.27473720       0.61560625       0.49477923 
           0.52927723       0.43217829       0.39771305 
           0.48069029       0.67249616       0.37332299 
           0.51761373       0.63051445       0.54010115 
           0.66605210       0.45672451       0.34021694 
           0.30462422       0.76347318       0.69505640 
           0.14507693       0.78886759       0.62093612 
           0.29011580       0.86046648       0.54691215 
           0.06660356       0.64050702       0.35859736 
           0.18775086       0.54658318       0.26887209 
           0.20300010       0.72323139       0.28051193 
           0.10604069       0.48366396       0.62256340 
           0.26886313       0.45330673       0.68644542 
           0.21567161       0.37410006       0.53638432 
           0.32528958       0.32272828       0.29958632 
           0.47462817       0.25589595       0.23030616 
           0.41424008       0.41372336       0.17545670 
           0.61565042       0.36120914       0.62143772 
           0.59689057       0.22149466       0.51338969 
           0.45438231       0.29222344       0.59269507 
           0.76288407       0.48302950       0.29514346 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
          23 
          24 
          25 
          26 
          27 
  
 
 
  
          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 
  
 
 
  
   unknown system
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       11
       40
       -1
       -1
        51.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     F  
         -0.00200000     -0.00100000      0.00200000      0.00000000      0.00000000      0.00000000     -0.00100000      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
      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10600000
         -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  
           0.00100000
           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
   
  
  
       50
       50
       50
      100
      100
      100
    F  
  
  
      800
        2
        0
        2
         0.00000000
        -0.02000000
        1
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
      800
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         0.77000000      1.11000000      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
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        12.01100000     28.08500000      1.00000000
         0.00000000      0.00000000      0.00000000
         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
        22.22222222
         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  
  
 
 
        27 
         3 
  
   ion
   element
   atomtype
   
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    Si   2
    Si   2
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       6C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       2Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      19H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          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 
   
  
  
          0.45860875       0.59839102       0.45230398 
          0.25154605       0.77139041       0.59889360 
          0.17412543       0.63262510       0.33606849 
          0.21117893       0.46793818       0.59377391 
          0.42601210       0.34891847       0.26363620 
          0.55051057       0.31624186       0.54488531 
          0.27473720       0.61560625       0.49477923 
          0.52927723       0.43217829       0.39771305 
          0.48069029       0.67249616       0.37332299 
          0.51761373       0.63051445       0.54010115 
          0.66605210       0.45672451       0.34021694 
          0.30462422       0.76347318       0.69505640 
          0.14507693       0.78886759       0.62093612 
          0.29011580       0.86046648       0.54691215 
          0.06660356       0.64050702       0.35859736 
          0.18775086       0.54658318       0.26887209 
          0.20300010       0.72323139       0.28051193 
          0.10604069       0.48366396       0.62256340 
          0.26886313       0.45330673       0.68644542 
          0.21567161       0.37410006       0.53638432 
          0.32528958       0.32272828       0.29958632 
          0.47462817       0.25589595       0.23030616 
          0.41424008       0.41372336       0.17545670 
          0.61565042       0.36120914       0.62143772 
          0.59689057       0.22149466       0.51338969 
          0.45438231       0.29222344       0.59269507 
          0.76288407       0.48302950       0.29514346 
  
 
 
  
   
   
   
          9.50327992 
       1067.18042994 
      -1957.92120105 
        103.34299305 
        867.92316687 
       -836.32170564 
         -0.00680168 
       -323.49793062 
       1325.98885632 
        256.19108710 
        256.19788878 
        256.19335433 
   
  
  
   
   
   
        -83.61024662 
        -83.58863068 
        -83.60304131 
   
  
  
   
   
   
       -148.25623550 
       -148.24296739 
       -148.25181280 
   
  
  
   
   
   
       -151.70502665 
       -151.69282889 
       -151.70096073 
   
  
  
   
   
   
       -151.81221851 
       -151.80003285 
       -151.80815662 
   
  
  
   
   
   
       -136.18277800 
       -136.18860209 
       -136.18471936 
   
  
  
   
   
   
       -134.26927864 
       -134.27512575 
       -134.27122768 
   
  
  
   
   
   
       -133.60706578 
       -133.61294976 
       -133.60902711 
   
  
  
   
   
   
       -133.59643789 
       -133.60232996 
       -133.59840191 
   
  
  
   
   
   
       -133.61349755 
       -133.61939264 
       -133.61546258 
   
  
  
   
   
   
       -133.63797027 
       -133.64386870 
       -133.63993642 
   
  
  
   
   
   
       -133.64528237 
       -133.65118121 
       -133.64724865 
   
  
  
   
   
   
       -133.65366263 
       -133.65956189 
       -133.65562905 
   
  
  
   
   
   
       -133.65741113 
       -133.66330994 
       -133.65937740 
   
  
  
   
   
   
       -133.66118779 
       -133.66708674 
       -133.66315411 
   
  
  
   
   
   
       -133.66455453 
       -133.67045382 
       -133.66652096 
   
  
  
   
   
   
       -133.66665041 
       -133.67255019 
       -133.66861700 
   
  
  
   
   
   
       -133.66792570 
       -133.67382592 
       -133.66989244 
   
  
  
   
   
   
       -133.66822933 
       -133.67412967 
       -133.67019611 
   
  
  
   
   
   
       -133.66847865 
       -133.67437914 
       -133.67044548 
   
  
  
   
   
   
       -133.66853608 
       -133.67443665 
       -133.67050294 
   
  
  
   
   
   
       -133.66857106 
       -133.67447170 
       -133.67053794 
   
  
  
   
   
   
       -133.66858866 
       -133.67448933 
       -133.67055555 
   
  
  
   
   
   
          9.50327992 
       1067.18042994 
      -2181.92807830 
        117.31233242 
       3947.97983214 
      -3917.56786840 
          0.00590067 
       -502.14327607 
       1325.98885632 
       -133.66859138 
       -133.67449205 
       -133.67055827 
   
  
  
   
    
           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 
    
   
   
           0.45860875       0.59839102       0.45230398 
           0.25154605       0.77139041       0.59889360 
           0.17412543       0.63262510       0.33606849 
           0.21117893       0.46793818       0.59377391 
           0.42601210       0.34891847       0.26363620 
           0.55051057       0.31624186       0.54488531 
           0.27473720       0.61560625       0.49477923 
           0.52927723       0.43217829       0.39771305 
           0.48069029       0.67249616       0.37332299 
           0.51761373       0.63051445       0.54010115 
           0.66605210       0.45672451       0.34021694 
           0.30462422       0.76347318       0.69505640 
           0.14507693       0.78886759       0.62093612 
           0.29011580       0.86046648       0.54691215 
           0.06660356       0.64050702       0.35859736 
           0.18775086       0.54658318       0.26887209 
           0.20300010       0.72323139       0.28051193 
           0.10604069       0.48366396       0.62256340 
           0.26886313       0.45330673       0.68644542 
           0.21567161       0.37410006       0.53638432 
           0.32528958       0.32272828       0.29958632 
           0.47462817       0.25589595       0.23030616 
           0.41424008       0.41372336       0.17545670 
           0.61565042       0.36120914       0.62143772 
           0.59689057       0.22149466       0.51338969 
           0.45438231       0.29222344       0.59269507 
           0.76288407       0.48302950       0.29514346 
   
  
  
          0.15800266      -0.01921881      -0.04880561 
          0.02128121       0.00235377       0.00946073 
          0.02428519       0.00776926       0.01804511 
          0.01441926      -0.00957762       0.02040015 
          0.07720122      -0.00409930      -0.09905290 
          0.11759572      -0.02528326       0.00989548 
         -0.09265715       0.00362434      -0.02548013 
         -1.87541575      -0.32607738       0.82602768 
         -0.01543233       0.02346682      -0.00655941 
         -0.00753033      -0.00051709       0.00997105 
          1.36330244       0.29588778      -0.60154995 
          0.00129126       0.00078745       0.00274125 
         -0.00304492       0.00173285      -0.00051995 
         -0.00648641       0.00149166      -0.00359804 
          0.00084623      -0.01638113      -0.00718331 
         -0.01212192      -0.00643103       0.00501066 
          0.00780642      -0.00067446      -0.00358562 
         -0.00005329       0.00996507      -0.00738724 
         -0.00276032       0.00104696      -0.00151516 
         -0.00039889       0.00563867      -0.00347972 
          0.00664476       0.01102259       0.03114508 
         -0.00723560       0.00257548      -0.00743506 
         -0.00050300      -0.00142123      -0.00167071 
         -0.00333122      -0.00845353      -0.00027320 
          0.00507217      -0.00392281       0.00498519 
         -0.02777015       0.01183485      -0.01869954 
          0.25699274       0.04286009      -0.10088683 
  
  
          0.65348350       0.69771683      -1.65213198 
          0.69771679      -2.98757851      -0.36392025 
         -1.65213201      -0.36392025      -2.35416382 
  
  
      -133.66859138 
      -133.67449205 
      -133.67055827 
  
  
 
 
  
   
   
   
          9.50327992 
       1071.53263869 
      -2185.81311124 
        117.35509903 
       3948.01878162 
      -3917.60681966 
          0.00593573 
       -502.74696840 
       1325.98885632 
       -133.76230799 
       -133.76824372 
       -133.76428657 
   
  
  
   
   
   
       -133.76469650 
       -133.77063299 
       -133.76667533 
   
  
  
   
   
   
       -133.77455582 
       -133.78049254 
       -133.77653473 
   
  
  
   
   
   
       -133.78796736 
       -133.79390540 
       -133.78994671 
   
  
  
   
   
   
       -133.79126784 
       -133.79720576 
       -133.79324715 
   
  
  
   
   
   
       -133.79221153 
       -133.79814902 
       -133.79419069 
   
  
  
   
   
   
       -133.79263431 
       -133.79857201 
       -133.79461354 
   
  
  
   
   
   
       -133.79292175 
       -133.79885972 
       -133.79490107 
   
  
  
   
   
   
       -133.79323514 
       -133.79917339 
       -133.79521456 
   
  
  
   
   
   
       -133.79342696 
       -133.79936533 
       -133.79540642 
   
  
  
   
   
   
       -133.79364208 
       -133.79958055 
       -133.79562157 
   
  
  
   
   
   
       -133.79370129 
       -133.79963982 
       -133.79568080 
   
  
  
   
   
   
       -133.79375410 
       -133.79969269 
       -133.79573363 
   
  
  
   
   
   
       -133.79378902 
       -133.79972763 
       -133.79576856 
   
  
  
   
   
   
          9.50327992 
       1071.53263869 
      -2184.60983453 
        117.29554622 
       3951.95659283 
      -3921.54633052 
          0.00593862 
       -503.92048498 
       1325.98885632 
       -133.79379743 
       -133.79973605 
       -133.79577697 
   
  
  
   
    
           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 
    
   
   
           0.45937100       0.59829830       0.45206853 
           0.25164872       0.77140177       0.59893924 
           0.17424259       0.63266258       0.33615554 
           0.21124849       0.46789198       0.59387233 
           0.42638454       0.34889869       0.26315834 
           0.55107788       0.31611989       0.54493305 
           0.27429020       0.61562373       0.49465631 
           0.52022973       0.43060521       0.40169803 
           0.48061584       0.67260937       0.37329135 
           0.51757740       0.63051196       0.54014925 
           0.67262903       0.45815195       0.33731490 
           0.30463045       0.76347698       0.69506962 
           0.14506224       0.78887595       0.62093361 
           0.29008451       0.86047368       0.54689479 
           0.06660764       0.64042799       0.35856271 
           0.18769238       0.54655216       0.26889626 
           0.20303776       0.72322814       0.28049463 
           0.10604043       0.48371203       0.62252776 
           0.26884981       0.45331178       0.68643811 
           0.21566969       0.37412726       0.53636753 
           0.32532164       0.32278146       0.29973657 
           0.47459326       0.25590837       0.23027029 
           0.41423765       0.41371650       0.17544864 
           0.61563435       0.36116836       0.62143640 
           0.59691504       0.22147574       0.51341374 
           0.45424834       0.29228053       0.59260486 
           0.76412387       0.48323627       0.29465676 
   
  
  
         -0.46871227       0.28444151       0.22519407 
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