./iterations/neb0_image02_iter47.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_image02
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
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6 {} {0.360098050164 0.551352181283 0.413676900546} C1 1 1
14 {} {0.336832815937 0.524835811239 0.524381514581} Si1 2 1
14 {} {0.421724462602 0.56206230261 0.40955299037} Si2 3 1
8 {} {0.349867374856 0.58153847759 0.600231361474} O1 4 1
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6 {} {0.452862142935 0.481718793677 0.394947875364} C3 7 1
8 {} {0.434683051954 0.596930249716 0.508464709272} O3 8 1
8 {} {0.434914310371 0.613421629177 0.326506899303} O4 9 1
14 {} {0.231469895384 0.527768778879 0.558377997898} Si3 10 1
7 {} {0.211754515227 0.449617986475 0.592753100169} N1 11 1
14 {} {0.189413193931 0.441243433183 0.70030097444} Si4 12 1
14 {} {0.212168959827 0.381928903031 0.517654727291} Si5 13 1
7 {} {0.206115832622 0.403264350473 0.407249557466} N2 14 1
7 {} {0.138906481807 0.480203535019 0.720493489124} N3 15 1
1 {} {0.350133101387 0.515598997889 0.361340454118} H1 16 1
1 {} {0.344528800519 0.599720490382 0.39660339724} H2 17 1
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1 {} {0.346896085286 0.400994273224 0.50965041471} H4 19 1
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1 {} {0.443303193068 0.457438979067 0.331928383262} H8 23 1
1 {} {0.446597607687 0.446229138855 0.449480277098} H9 24 1
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1 {} {0.466952549222 0.615621611223 0.315383924881} H11 26 1
1 {} {0.229775430351 0.571988779919 0.638661206044} H12 27 1
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1 {} {0.255394128629 0.345272512452 0.523451972184} H16 31 1
1 {} {0.174505292808 0.337464203824 0.544302308381} H17 32 1
1 {} {0.233162355205 0.417840269546 0.371278088751} H18 33 1
1 {} {0.178161251487 0.426683241197 0.385056539663} H19 34 1
1 {} {0.138116560382 0.529835704948 0.735383028202} H20 35 1
1 {} {0.110882237814 0.466389556228 0.687007812419} H21 36 1
6 {} {0.63071499022 0.641148274678 0.349313611495} C4 37 1
14 {} {0.587567963484 0.578688655523 0.386592996436} Si6 38 1
14 {} {0.625073906948 0.72964597841 0.385823004559} Si7 39 1
8 {} {0.537413455964 0.614808484727 0.381019575094} O5 40 1
8 {} {0.588142065307 0.514342619753 0.319505600457} O6 41 1
6 {} {0.598519730088 0.546833639663 0.501593024691} C5 42 1
6 {} {0.64331680837 0.746688631707 0.502964322189} C6 43 1
8 {} {0.570219770714 0.744475539549 0.374491026707} O7 44 1
8 {} {0.652771564278 0.779085390946 0.315913144328} O8 45 1
14 {} {0.582058481877 0.453830245553 0.246468162865} Si8 46 1
7 {} {0.594496324918 0.375775028517 0.289612169347} N4 47 1
14 {} {0.551030232986 0.319538809434 0.313121594594} Si9 48 1
14 {} {0.64922871412 0.350625788159 0.314896535614} Si10 49 1
7 {} {0.69013371764 0.396894538161 0.263768388041} N5 50 1
7 {} {0.527076717393 0.276319556501 0.22614376803} N6 51 1
1 {} {0.664114279309 0.622788446355 0.368049544758} H22 52 1
1 {} {0.629936384148 0.641971773756 0.275662360246} H23 53 1
1 {} {0.539951985958 0.663873495349 0.376567780718} H24 54 1
1 {} {0.630635358389 0.52027047602 0.504522820419} H25 55 1
1 {} {0.572409439606 0.511352943296 0.522047189569} H26 56 1
1 {} {0.599424583743 0.587456538502 0.551054644328} H27 57 1
1 {} {0.638075144518 0.799462821234 0.521163096184} H28 58 1
1 {} {0.678909625544 0.735258372254 0.512302176169} H29 59 1
1 {} {0.624337569236 0.716151757761 0.550751201327} H30 60 1
1 {} {0.559767548396 0.790312222996 0.371476351078} H31 61 1
1 {} {0.670749955612 0.81468772966 0.341003066094} H32 62 1
1 {} {0.534400949502 0.451724053367 0.217627397359} H33 63 1
1 {} {0.611285014954 0.469998398092 0.169098163172} H34 64 1
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1 {} {0.653060701621 0.279163052973 0.286849593991} H38 68 1
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1 {} {0.504764623642 0.299432193237 0.185279726869} H41 71 1
1 {} {0.544552747648 0.240823876237 0.192201760455} H42 72 1
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