vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 01 15 
  21:04:53 
 
 
  vinyl-trimethoxy-silane molecule
       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 
           0.29596656       0.52300542       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 
           0.33044620       0.50611786       0.48524030 
           0.28868545       0.54800088       0.43797354 
           0.29070398       0.55777002       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 
           0.26551633       0.46442900       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 molecule
    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 
          0.29596656       0.52300542       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 
          0.33044620       0.50611786       0.48524030 
          0.28868545       0.54800088       0.43797354 
          0.29070398       0.55777002       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 
          0.26551633       0.46442900       0.49321149 
          0.15711401       0.49858765       0.50591290 
  
 
 
  
   
   
   
          0.94414687 
       4776.85207379 
      -6462.64541866 
        172.21416648 
       1690.75319013 
      -1681.43868334 
         -0.02346793 
       -265.85099140 
       2285.23504567 
        516.04006162 
        516.06352955 
        516.04788427 
   
  
  
   
   
   
        204.55302518 
        204.55915733 
        204.55506923 
   
  
  
   
   
   
        -40.70573969 
        -40.74031962 
        -40.71726633 
   
  
  
   
   
   
        -95.20216026 
        -95.20827857 
        -95.20419970 
   
  
  
   
   
   
        -96.88806353 
        -96.89424401 
        -96.89012369 
   
  
  
   
   
   
        -38.29714709 
        -38.30615335 
        -38.30014918 
   
  
  
   
   
   
        -69.43217669 
        -69.44076169 
        -69.43503836 
   
  
  
   
   
   
        -75.87675211 
        -75.89619871 
        -75.88323431 
   
  
  
   
   
   
        -90.13830318 
        -90.15588478 
        -90.14416371 
   
  
  
   
   
   
        -94.53723871 
        -94.51937679 
        -94.53128474 
   
  
  
   
   
   
        -97.96369996 
        -97.91607408 
        -97.94782467 
   
  
  
   
   
   
        -99.95549108 
        -99.91267625 
        -99.94121947 
   
  
  
   
   
   
        -99.00168157 
        -98.94871188 
        -98.98402500 
   
  
  
   
   
   
        -99.00596015 
        -98.97156677 
        -98.99449569 
   
  
  
   
   
   
        -99.57749451 
        -99.59503298 
        -99.58334067 
   
  
  
   
   
   
        -99.86149593 
        -99.87681733 
        -99.86660306 
   
  
  
   
   
   
       -100.17693938 
       -100.20015130 
       -100.18467669 
   
  
  
   
   
   
       -100.50713671 
       -100.53016062 
       -100.51481135 
   
  
  
   
   
   
       -103.95163328 
       -103.92340752 
       -103.94222469 
   
  
  
   
   
   
       -105.28405497 
       -105.24567030 
       -105.27126008 
   
  
  
   
   
   
       -106.23757290 
       -106.19352675 
       -106.22289085 
   
  
  
   
   
   
       -106.72777424 
       -106.71422347 
       -106.72325732 
   
  
  
   
   
   
       -107.06410598 
       -107.08426300 
       -107.07082499 
   
  
  
   
   
   
       -106.81142086 
       -106.83812562 
       -106.82032245 
   
  
  
   
   
   
       -106.75390774 
       -106.78075206 
       -106.76285585 
   
  
  
   
   
   
       -107.07787408 
       -107.10130533 
       -107.08568449 
   
  
  
   
   
   
       -107.79019356 
       -107.80643390 
       -107.79560701 
   
  
  
   
   
   
       -107.96502140 
       -107.98508102 
       -107.97170794 
   
  
  
   
   
   
       -108.15138167 
       -108.17282712 
       -108.15853016 
   
  
  
   
   
   
       -108.60954403 
       -108.62588316 
       -108.61499041 
   
  
  
   
   
   
       -108.82525496 
       -108.84131723 
       -108.83060905 
   
  
  
   
   
   
       -108.90734567 
       -108.92396427 
       -108.91288520 
   
  
  
   
   
   
       -109.00022359 
       -109.01780185 
       -109.00608301 
   
  
  
   
   
   
       -109.03122526 
       -109.04920890 
       -109.03721981 
   
  
  
   
   
   
       -109.07909082 
       -109.09706636 
       -109.08508267 
   
  
  
   
   
   
       -109.16367087 
       -109.18186554 
       -109.16973576 
   
  
  
   
   
   
       -109.20652355 
       -109.22470393 
       -109.21258368 
   
  
  
   
   
   
       -109.21848171 
       -109.23651925 
       -109.22449422 
   
  
  
   
   
   
       -109.21890167 
       -109.23713309 
       -109.22497881 
   
  
  
   
   
   
       -109.21948852 
       -109.23786962 
       -109.22561556 
   
  
  
   
   
   
       -109.22437235 
       -109.24273857 
       -109.23049442 
   
  
  
   
   
   
       -109.23111183 
       -109.24947997 
       -109.23723454 
   
  
  
   
   
   
       -109.23835193 
       -109.25673646 
       -109.24448011 
   
  
  
   
   
   
       -109.24359263 
       -109.26198526 
       -109.24972351 
   
  
  
   
   
   
       -109.24881372 
       -109.26719164 
       -109.25493969 
   
  
  
   
   
   
       -109.25266645 
       -109.27100632 
       -109.25877974 
   
  
  
   
   
   
       -109.25412041 
       -109.27244940 
       -109.26023007 
   
  
  
   
   
   
       -109.25477239 
       -109.27310070 
       -109.26088183 
   
  
  
   
   
   
       -109.25527311 
       -109.27360729 
       -109.26138450 
   
  
  
   
   
   
       -109.25545115 
       -109.27378963 
       -109.26156397 
   
  
  
   
   
   
       -109.25554224 
       -109.27388218 
       -109.26165555 
   
  
  
   
   
   
       -109.25562289 
       -109.27396247 
       -109.26173608 
   
  
  
   
   
   
       -109.25566797 
       -109.27400830 
       -109.26178142 
   
  
  
   
   
   
       -109.25568969 
       -109.27403040 
       -109.26180326 
   
  
  
   
   
   
       -109.25570084 
       -109.27404047 
       -109.26181405 
   
  
  
   
   
   
          0.94414687 
       4776.85207379 
      -6702.79117150 
        177.76346315 
       3947.00249289 
      -3938.72797055 
          0.01833951 
       -655.55212632 
       2285.23504567 
       -109.25570649 
       -109.27404599 
       -109.26181966 
   
  
  
   
    
           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 
           0.29596656       0.52300542       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 
           0.33044620       0.50611786       0.48524030 
           0.28868545       0.54800088       0.43797354 
           0.29070398       0.55777002       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 
           0.26551633       0.46442900       0.49321149 
           0.15711401       0.49858765       0.50591290 
   
  
  
         -0.86074001      -5.16061304      -4.43383752 
          2.47125697       4.90204973       0.38093826 
         -2.43322096      -1.94481184      -0.25613188 
          1.24920980      -0.36778909      -0.65980476 
          0.57046079      -2.07558114       0.24749772 
         -0.52660123      -1.24518833      -0.15208565 
         -0.33597359      -0.13734225       0.28374830 
          0.42788269       0.02078635      -0.28449436 
         -0.81773543       0.75966573      -0.27500855 
          0.29602502      -0.39534265       0.14178061 
         -0.33006681      -0.11090705       0.19156369 
         -0.12735715      -0.01700728      -0.09732159 
          0.33288945      -0.50909810       0.14356448 
          0.39213501      -0.11938863      -0.12566082 
          0.64483084      -0.28696758       0.00657296 
         -0.42624700      -0.24139137       0.05335985 
         -0.02655555       0.34426099       0.22469431 
         -0.36687499       0.19433457      -0.01904630 
         -0.48173307       1.30633744       2.43575048 
          0.26921721       2.00508343       1.03837391 
          0.07919802       3.07891011       1.15554685 
  
  
          0.15127027      -0.85190822      -0.13321823 
         -0.85190821      -0.51269567      -0.68772207 
         -0.13321823      -0.68772207      -0.72564153 
  
  
      -109.25570649 
      -109.27404599 
      -109.26181966 
  
  
 
 
  
   
   
   
          0.94414687 
       4922.15912539 
      -6793.89865054 
        179.84809027 
       3947.02036608 
      -3938.74583394 
          0.01204570 
       -707.06790458 
       2285.23504567 
       -104.49356907 
       -104.50561477 
       -104.49758431 
   
  
  
   
   
   
       -105.69576670 
       -105.70763192 
       -105.69972178 
   
  
  
   
   
   
       -105.24166456 
       -105.25349694 
       -105.24560869 
   
  
  
   
   
   
       -105.17473813 
       -105.18662495 
       -105.17870040 
   
  
  
   
   
   
       -105.16597404 
       -105.17784419 
       -105.16993076 
   
  
  
   
   
   
       -105.16723072 
       -105.17904369 
       -105.17116838 
   
  
  
   
   
   
       -105.16862722 
       -105.18040149 
       -105.17255198 
   
  
  
   
   
   
       -105.17152431 
       -105.18323492 
       -105.17542785 
   
  
  
   
   
   
       -105.17333238 
       -105.18501178 
       -105.17722551 
   
  
  
   
   
   
       -105.17585617 
       -105.18750317 
       -105.17973850 
   
  
  
   
   
   
       -105.17821209 
       -105.18983726 
       -105.18208715 
   
  
  
   
   
   
       -105.18051314 
       -105.19212152 
       -105.18438260 
   
  
  
   
   
   
       -105.18226966 
       -105.19386957 
       -105.18613629 
   
  
  
   
   
   
       -105.18322632 
       -105.19482373 
       -105.18709212 
   
  
  
   
   
   
       -105.18406278 
       -105.19565902 
       -105.18792819 
   
  
  
   
   
   
       -105.18477934 
       -105.19637520 
       -105.18864463 
   
  
  
   
   
   
       -105.18502174 
       -105.19661757 
       -105.18888702 
   
  
  
   
   
   
       -105.18541291 
       -105.19700872 
       -105.18927818 
   
  
  
   
   
   
       -105.18560190 
       -105.19719771 
       -105.18946717 
   
  
  
   
   
   
       -105.18583329 
       -105.19742910 
       -105.18969856 
   
  
  
   
   
   
       -105.18603726 
       -105.19763307 
       -105.18990253 
   
  
  
   
   
   
       -105.18615126 
       -105.19774707 
       -105.19001653 
   
  
  
   
   
   
       -105.18632037 
       -105.19791619 
       -105.19018564 
   
  
  
   
   
   
       -105.18640108 
       -105.19799689 
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