vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 01 15 
  21:05:44 
 
 
  vinyl-trimethoxy-silane break OCH3
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     180
       2
       2
        0.00001000
       -0.02000000
     800
       2
       1
      400.00000000
        1.11000000      0.77000000      0.32000000      0.73000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           30.00000000       0.00000000       0.00000000 
            0.00000000      20.00000000       0.00000000 
            0.00000000       0.00000000      20.00000000 
    
      12000.00000000 
    
            0.03333333       0.00000000       0.00000000 
            0.00000000       0.05000000       0.00000000 
            0.00000000       0.00000000       0.05000000 
    
   
   
           0.21490910       0.49304683       0.53506442 
           0.21724632       0.56009921       0.46994383 
           0.24014763       0.62063211       0.48238819 
           0.15585438       0.39599243       0.56850459 
           0.81951125       0.51001305       0.48508527 
           0.14082403       0.56863070       0.51539210 
           0.20221461       0.55204106       0.42082963 
           0.23366300       0.66448102       0.45136231 
           0.26204039       0.62428265       0.52650071 
           0.15615806       0.34892569       0.59585112 
           0.15151249       0.43731420       0.60357665 
           0.12837156       0.39593336       0.53279954 
           0.85399089       0.49312549       0.48524030 
           0.81223014       0.53500851       0.43797354 
           0.81424866       0.54477765       0.52633180 
           0.10461936       0.56947815       0.51218533 
           0.15124706       0.58659320       0.56436388 
           0.15486251       0.60081597       0.47665385 
           0.19929048       0.40458958       0.53187767 
           0.78906102       0.45143663       0.49321149 
           0.15711401       0.49858765       0.50591290 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
  
 
 
  
          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 
  
 
 
  
   vinyl-trimethoxy-silane break OCH3
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       11
       52
       -1
       -1
        54.00000000
        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      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  
   
   
       180
        -5
         2
        400.00000000
    
      T  
      F  
           0.00100000
           0.00000005
           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
       98
      300
      196
      196
    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
         1.11000000      0.77000000      0.32000000      0.73000000
      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  
        28.08500000     12.01100000      1.00000000     16.00000000
         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
       342.85714286
         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
      180
        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  
  
 
 
        21 
         4 
  
   ion
   element
   atomtype
   
    Si   1
    C    2
    C    2
    C    2
    C    2
    C    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
    O    4
    O    4
    O    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       5C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      12H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       3O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
   
  
 
 
  
   
          30.00000000       0.00000000       0.00000000 
           0.00000000      20.00000000       0.00000000 
           0.00000000       0.00000000      20.00000000 
   
     12000.00000000 
   
           0.03333333       0.00000000       0.00000000 
           0.00000000       0.05000000       0.00000000 
           0.00000000       0.00000000       0.05000000 
   
  
  
          0.21490910       0.49304683       0.53506442 
          0.21724632       0.56009921       0.46994383 
          0.24014763       0.62063211       0.48238819 
          0.15585438       0.39599243       0.56850459 
          0.81951125       0.51001305       0.48508527 
          0.14082403       0.56863070       0.51539210 
          0.20221461       0.55204106       0.42082963 
          0.23366300       0.66448102       0.45136231 
          0.26204039       0.62428265       0.52650071 
          0.15615806       0.34892569       0.59585112 
          0.15151249       0.43731420       0.60357665 
          0.12837156       0.39593336       0.53279954 
          0.85399089       0.49312549       0.48524030 
          0.81223014       0.53500851       0.43797354 
          0.81424866       0.54477765       0.52633180 
          0.10461936       0.56947815       0.51218533 
          0.15124706       0.58659320       0.56436388 
          0.15486251       0.60081597       0.47665385 
          0.19929048       0.40458958       0.53187767 
          0.78906102       0.45143663       0.49321149 
          0.15711401       0.49858765       0.50591290 
  
 
 
  
   
   
   
          0.94414687 
       3190.47237941 
      -4891.32808938 
        170.05299758 
       1690.75319013 
      -1681.43868334 
         -0.01410065 
       -264.50520513 
       2285.23504567 
        500.17168116 
        500.18578182 
        500.17638138 
   
  
  
   
   
   
        203.00207452 
        202.99916391 
        203.00110432 
   
  
  
   
   
   
        -40.02399121 
        -40.04400249 
        -40.03066164 
   
  
  
   
   
   
        -94.59164759 
        -94.60428080 
        -94.59585866 
   
  
  
   
   
   
        -96.38701560 
        -96.39865396 
        -96.39089505 
   
  
  
   
   
   
        -39.96687076 
        -39.91395965 
        -39.94923373 
   
  
  
   
   
   
        -63.65822126 
        -63.63011347 
        -63.64885199 
   
  
  
   
   
   
        -75.75508421 
        -75.76903611 
        -75.75973484 
   
  
  
   
   
   
        -85.71053293 
        -85.76307965 
        -85.72804850 
   
  
  
   
   
   
        -87.15300973 
        -87.17420744 
        -87.16007563 
   
  
  
   
   
   
        -93.65616210 
        -93.67994480 
        -93.66408967 
   
  
  
   
   
   
        -96.97983711 
        -96.92994495 
        -96.96320639 
   
  
  
   
   
   
        -99.10831981 
        -99.06627562 
        -99.09430508 
   
  
  
   
   
   
       -101.42632694 
       -101.43875056 
       -101.43046814 
   
  
  
   
   
   
       -100.90010821 
       -100.87812849 
       -100.89278164 
   
  
  
   
   
   
       -102.32090679 
       -102.26271852 
       -102.30151070 
   
  
  
   
   
   
       -103.34920085 
       -103.29783000 
       -103.33207724 
   
  
  
   
   
   
       -103.09519655 
       -103.04252150 
       -103.07763820 
   
  
  
   
   
   
       -103.34334379 
       -103.30269064 
       -103.32979274 
   
  
  
   
   
   
       -104.48415289 
       -104.41746883 
       -104.46192487 
   
  
  
   
   
   
       -105.00988309 
       -104.96771697 
       -104.99582772 
   
  
  
   
   
   
       -105.87621482 
       -105.81487724 
       -105.85576896 
   
  
  
   
   
   
       -106.27144619 
       -106.22427466 
       -106.25572234 
   
  
  
   
   
   
       -106.90854053 
       -106.85230191 
       -106.88979433 
   
  
  
   
   
   
       -107.50336924 
       -107.43864119 
       -107.48179323 
   
  
  
   
   
   
       -107.66593341 
       -107.61163662 
       -107.64783448 
   
  
  
   
   
   
       -107.77485821 
       -107.71726073 
       -107.75565905 
   
  
  
   
   
   
       -107.92412053 
       -107.86859355 
       -107.90561154 
   
  
  
   
   
   
       -108.02107533 
       -107.96520317 
       -108.00245128 
   
  
  
   
   
   
       -108.02830273 
       -107.97194798 
       -108.00951781 
   
  
  
   
   
   
       -108.05907715 
       -108.00095097 
       -108.03970175 
   
  
  
   
   
   
       -108.07717661 
       -108.01718635 
       -108.05717986 
   
  
  
   
   
   
       -108.08495837 
       -108.02486225 
       -108.06492633 
   
  
  
   
   
   
       -108.08932426 
       -108.02935648 
       -108.06933500 
   
  
  
   
   
   
       -108.09510806 
       -108.03522673 
       -108.07514762 
   
  
  
   
   
   
       -108.10338905 
       -108.04418127 
       -108.08365312 
   
  
  
   
   
   
       -108.11003578 
       -108.05087509 
       -108.09031555 
   
  
  
   
   
   
       -108.11470328 
       -108.05549965 
       -108.09496874 
   
  
  
   
   
   
       -108.11775610 
       -108.05847140 
       -108.09799453 
   
  
  
   
   
   
       -108.11898619 
       -108.05957132 
       -108.09918123 
   
  
  
   
   
   
       -108.11959716 
       -108.06015415 
       -108.09978283 
   
  
  
   
   
   
       -108.11995314 
       -108.06062226 
       -108.10017618 
   
  
  
   
   
   
       -108.12006563 
       -108.06075029 
       -108.10029385 
   
  
  
   
   
   
       -108.12009880 
       -108.06077135 
       -108.10032298 
   
  
  
   
   
   
       -108.12014660 
       -108.06080521 
       -108.10036614 
   
  
  
   
   
   
       -108.12015749 
       -108.06081526 
       -108.10037675 
   
  
  
   
   
   
          0.94414687 
       3190.47237941 
      -5109.46619377 
        175.91150790 
       3769.20787561 
      -3760.89884815 
         -0.05934104 
       -659.46673393 
       2285.23504567 
       -108.12016142 
       -108.06082038 
       -108.10038108 
   
  
  
   
    
           30.00000000       0.00000000       0.00000000 
            0.00000000      20.00000000       0.00000000 
            0.00000000       0.00000000      20.00000000 
    
      12000.00000000 
    
            0.03333333       0.00000000       0.00000000 
            0.00000000       0.05000000       0.00000000 
            0.00000000       0.00000000       0.05000000 
    
   
   
           0.21490910       0.49304683       0.53506442 
           0.21724632       0.56009921       0.46994383 
           0.24014763       0.62063211       0.48238819 
           0.15585438       0.39599243       0.56850459 
           0.81951125       0.51001305       0.48508527 
           0.14082403       0.56863070       0.51539210 
           0.20221461       0.55204106       0.42082963 
           0.23366300       0.66448102       0.45136231 
           0.26204039       0.62428265       0.52650071 
           0.15615806       0.34892569       0.59585112 
           0.15151249       0.43731420       0.60357665 
           0.12837156       0.39593336       0.53279954 
           0.85399089       0.49312549       0.48524030 
           0.81223014       0.53500851       0.43797354 
           0.81424866       0.54477765       0.52633180 
           0.10461936       0.56947815       0.51218533 
           0.15124706       0.58659320       0.56436388 
           0.15486251       0.60081597       0.47665385 
           0.19929048       0.40458958       0.53187767 
           0.78906102       0.45143663       0.49321149 
           0.15711401       0.49858765       0.50591290 
   
  
  
         -3.77943721      -2.65286499      -1.28138307 
          4.53235532       2.63458333      -0.71001548 
         -1.23382580      -2.87826786      -0.06090590 
          1.18559901      -0.05774750      -0.58343097 
         -1.95417879      -2.36251217       0.39487111 
         -0.47466666      -1.38434039      -0.18612611 
         -0.28379256      -0.05243968       0.17409778 
          0.20634194       0.05906651      -0.02787540 
         -0.32333145       0.26287133      -0.20656429 
          0.42103316      -0.37871734       0.10107845 
         -0.26720642      -0.02133187       0.23780205 
         -0.05532598       0.01168793      -0.11952751 
          0.46151657      -0.26774663       0.00762399 
         -0.15547123       0.16663337      -0.45672217 
         -0.11945672       0.24092404       0.37658976 
         -0.41216455      -0.21590489       0.01158538 
         -0.01102507       0.34572137       0.27727581 
         -0.36468011       0.26539535      -0.02769058 
          0.72266314       0.90315897       1.07568169 
          1.76109265       2.21468203      -0.33765199 
          0.14396077       3.16714908       1.34128745 
  
  
         -0.65963420      -0.84606267      -0.31430825 
         -0.84606266      -1.29046805      -0.25259345 
         -0.31430825      -0.25259345      -0.35246870 
  
  
      -108.12016142 
      -108.06082038 
      -108.10038108 
  
  
 
 
  
   
   
   
          0.94414687 
       3342.42679428 
      -5211.58374637 
        177.90027973 
       3769.20629413 
      -3760.89726776 
          0.01394960 
       -707.78150355 
       2285.23504567 
       -104.53600739 
       -104.54995699 
       -104.54065725 
   
  
  
   
   
   
       -104.81621674 
       -104.70862734 
       -104.78035361 
   
  
  
   
   
   
       -104.41426892 
       -104.42885918 
       -104.41913234 
   
  
  
   
   
   
       -103.37973906 
       -103.31850526 
       -103.35932779 
   
  
  
   
   
   
       -104.39884202 
       -104.35638391 
       -104.38468932 
   
  
  
   
   
   
       -104.92338040 
       -104.91098538 
       -104.91924873 
   
  
  
   
   
   
       -105.04098994 
       -105.06471687 
       -105.04889892 
   
  
  
   
   
   
       -105.03900033 
       -105.05890282 
       -105.04563449 
   
  
  
   
   
   
       -105.05982353 
       -105.03246423 
       -105.05070376 
   
  
  
   
   
   
       -105.05759017 
       -105.02512606 
       -105.04676880 
   
  
  
   
   
   
       -105.00593541 
       -104.96153499 
       -104.99113527 
   
  
  
   
   
   
       -105.10355105 
       -105.03785776 
       -105.08165329 
   
  
  
   
   
   
       -105.16922992 
       -105.11510959 
       -105.15118981 
   
  
  
   
   
   
       -105.18714683 
       -105.12855743 
       -105.16761703 
   
  
  
   
   
   
       -105.18396949 
       -105.12436672 
       -105.16410190 
   
  
  
   
   
   
       -105.19585296 
       -105.14105490 
       -105.17758694 
   
  
  
   
   
   
       -105.19905319 
       -105.14244709 
       -105.18018449 
   
  
  
   
   
   
       -105.20048393 
       -105.14010490 
       -105.18035759 
   
  
  
   
   
   
       -105.20659893 
       -105.14417615 
       -105.18579134 
   
  
  
   
   
   
       -105.20955728 
       -105.14723201 
       -105.18878219 
   
  
  
   
   
   
       -105.21005118 
       -105.14765473 
       -105.18925236 
   
  
  
   
   
   
       -105.21022192 
       -105.14774621 
       -105.18939668 
   
  
  
   
   
   
       -105.21400610 
       -105.15054023 
       -105.19285081 
   
  
  
   
   
   
       -105.21834974 
       -105.15391327 
       -105.19687092 
   
  
  
   
   
   
       -105.22404463 
       -105.15905013 
       -105.20237980 
   
  
  
   
   
   
       -105.22765258 
       -105.16333826 
       -105.20621447 
   
  
  
   
   
   
       -105.23003358 
       -105.16585049 
       -105.20863922 
   
  
  
   
   
   
       -105.23130958 
       -105.16702979 
       -105.20988299 
   
  
  
   
   
   
       -105.23257315 
       -105.16860434 
       -105.21125022 
   
  
  
   
   
   
       -105.23332201 
       -105.16939316 
       -105.21201239 
   
  
  
   
   
   
       -105.23384015 
       -105.16989817 
       -105.21252616 
   
  
  
   
   
   
       -105.23415451 
       -105.17020206 
       -105.21283702 
   
  
  
   
   
   
       -105.23431593 
       -105.17033305 
       -105.21298831 
   
  
  
   
   
   
       -105.23455562 
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