./iterations/neb0_image05_iter13.sci output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
finished
#MD System 2.0
@Title neb0_image05
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
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@data
6 {} {0.365831708097 0.565911520525 0.412520731718} C1 1 1
14 {} {0.342433732825 0.539321242859 0.523054584051} Si1 2 1
14 {} {0.427543358252 0.576414459569 0.407955915585} Si2 3 1
8 {} {0.355579603514 0.596026835816 0.599253241016} O1 4 1
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6 {} {0.458015596229 0.495501811894 0.39347505395} C3 7 1
8 {} {0.440116197682 0.61195203495 0.506967344271} O3 8 1
8 {} {0.439781410004 0.628828437136 0.32504351179} O4 9 1
14 {} {0.237016028276 0.542069062898 0.557386787242} Si3 10 1
7 {} {0.217362200564 0.463906118759 0.591582556109} N1 11 1
14 {} {0.194901424995 0.455651664063 0.699006276762} Si4 12 1
14 {} {0.217923071754 0.396243259373 0.516510299557} Si5 13 1
7 {} {0.211844225389 0.41753442919 0.40611359173} N2 14 1
7 {} {0.144459063643 0.494652023004 0.719252189738} N3 15 1
1 {} {0.355737182591 0.53018017124 0.360195215854} H1 16 1
1 {} {0.350128165301 0.61425741357 0.395457244615} H2 17 1
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1 {} {0.448690559523 0.471698640137 0.330158615066} H8 23 1
1 {} {0.451996309155 0.460280595413 0.448337604445} H9 24 1
1 {} {0.471022956115 0.625748339345 0.513227069656} H10 25 1
1 {} {0.471730981432 0.62932692252 0.312978518463} H11 26 1
1 {} {0.235310160362 0.586233527032 0.637649391919} H12 27 1
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1 {} {0.188199085858 0.382597343072 0.713313017982} H14 29 1
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1 {} {0.261183567991 0.359704532368 0.52232868543} H16 31 1
1 {} {0.180329164634 0.351625313333 0.543114350787} H17 32 1
1 {} {0.23882378398 0.432118516905 0.370058011258} H18 33 1
1 {} {0.183810888809 0.440864732784 0.383920209061} H19 34 1
1 {} {0.143689268759 0.544267299007 0.734195521042} H20 35 1
1 {} {0.11642194079 0.480915039381 0.685639598934} H21 36 1
6 {} {0.625267431978 0.62683644708 0.350455876313} C4 37 1
14 {} {0.582666843632 0.564292025542 0.387969424227} Si6 38 1
14 {} {0.61947954844 0.715225004264 0.387054357773} Si7 39 1
8 {} {0.533047257598 0.601607402101 0.382599248134} O5 40 1
8 {} {0.582791869404 0.499795072255 0.320671363967} O6 41 1
6 {} {0.59306591609 0.532299920648 0.50291354623} C5 42 1
6 {} {0.637618026346 0.732264662405 0.504228607267} C6 43 1
8 {} {0.564603462433 0.730064326545 0.375534496849} O7 44 1
8 {} {0.647224626368 0.764548317407 0.317188837503} O8 45 1
14 {} {0.576322667257 0.439327760848 0.247818644858} Si8 46 1
7 {} {0.588938641182 0.361332683478 0.290818880448} N4 47 1
14 {} {0.545202699635 0.304989836306 0.314435527374} Si9 48 1
14 {} {0.643432634077 0.335934109896 0.31616901323} Si10 49 1
7 {} {0.684540088751 0.38217101567 0.264954427251} N5 50 1
7 {} {0.521407263584 0.261998768971 0.227585022473} N6 51 1
1 {} {0.658559368831 0.608452577715 0.369236589988} H22 52 1
1 {} {0.624355080191 0.627537162687 0.2768344171} H23 53 1
1 {} {0.535330850893 0.650781210433 0.378056144948} H24 54 1
1 {} {0.625148313352 0.505763082489 0.505574437502} H25 55 1
1 {} {0.56690994219 0.496808737695 0.523113161933} H26 56 1
1 {} {0.593956005108 0.572846256284 0.552448295481} H27 57 1
1 {} {0.632359937668 0.785035929381 0.522387582091} H28 58 1
1 {} {0.673209194009 0.720871281348 0.513595547913} H29 59 1
1 {} {0.618640203367 0.701728567372 0.55199593938} H30 60 1
1 {} {0.554147398117 0.775911235392 0.372599877883} H31 61 1
1 {} {0.665130177144 0.80028050423 0.342231327436} H32 62 1
1 {} {0.528711136295 0.437444760939 0.219126162516} H33 63 1
1 {} {0.605616330257 0.45545749709 0.170435041377} H34 64 1
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1 {} {0.508396446853 0.343045147379 0.357741123742} H36 66 1
1 {} {0.652721818575 0.342049452796 0.413696094677} H37 67 1
1 {} {0.647237359552 0.264507920694 0.288048625601} H38 68 1
1 {} {0.697756611182 0.422957367158 0.295371749942} H39 69 1
1 {} {0.687476174628 0.385079838867 0.197685509615} H40 70 1
1 {} {0.499159368112 0.285101034006 0.186516364177} H41 71 1
1 {} {0.538764044242 0.226408252051 0.193549110808} H42 72 1
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