./iterations/neb0_image08_iter6.sci output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
running
#MD System 2.0
@Title neb0_image08
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
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Name string {{}}
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@data
6 {} {0.371366496592 0.580444802522 0.411291114663} C1 1 1
14 {} {0.348149655549 0.553650858469 0.521952062536} Si1 2 1
14 {} {0.433200758264 0.590047303069 0.406917590411} Si2 3 1
8 {} {0.361257549138 0.610469081983 0.597985565804} O1 4 1
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6 {} {0.462923701871 0.508665898102 0.392422390352} C3 7 1
8 {} {0.445884386737 0.626384580448 0.505806255502} O3 8 1
8 {} {0.445788362466 0.643096338855 0.323846866712} O4 9 1
14 {} {0.242728342982 0.556406021825 0.556244464604} Si3 10 1
7 {} {0.22302755224 0.4783432386 0.590426810207} N1 11 1
14 {} {0.200574166096 0.470061004403 0.697852877223} Si4 12 1
14 {} {0.22360279081 0.410676315272 0.515350822816} Si5 13 1
7 {} {0.217528769919 0.432003640221 0.404991591545} N2 14 1
7 {} {0.150137833818 0.509107417233 0.717970643041} N3 15 1
1 {} {0.361426221512 0.544610808443 0.359009387143} H1 16 1
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1 {} {0.454289014784 0.486147244801 0.328832436376} H8 23 1
1 {} {0.457565781704 0.474593549338 0.447288903683} H9 24 1
1 {} {0.476712878822 0.640595983087 0.512174121333} H10 25 1
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1 {} {0.266896840693 0.374138250915 0.521183006414} H16 31 1
1 {} {0.186012351668 0.365966926875 0.541937091226} H17 32 1
1 {} {0.244523556577 0.446500582823 0.368856165671} H18 33 1
1 {} {0.189501325109 0.45524268991 0.382722356982} H19 34 1
1 {} {0.149373061903 0.558691406239 0.733026110719} H20 35 1
1 {} {0.122109311741 0.495357974293 0.684451388271} H21 36 1
6 {} {0.619563505751 0.612341297241 0.351694217256} C4 37 1
14 {} {0.577438445322 0.549874468353 0.389182932265} Si6 38 1
14 {} {0.613851128667 0.700814729058 0.388212508494} Si7 39 1
8 {} {0.52940748265 0.58855600745 0.383509860087} O5 40 1
8 {} {0.577088159172 0.485492990794 0.321991468861} O6 41 1
6 {} {0.587348702073 0.517847545691 0.504033891339} C5 42 1
6 {} {0.631907976103 0.717871233425 0.505396208246} C6 43 1
8 {} {0.558851707574 0.715720260526 0.37666468335} O7 44 1
8 {} {0.641593096291 0.750134202808 0.318406271094} O8 45 1
14 {} {0.570613667233 0.424901105845 0.249020204097} Si8 46 1
7 {} {0.58320354953 0.346894914719 0.292084215896} N4 47 1
14 {} {0.539529335729 0.290536694511 0.315623247117} Si9 48 1
14 {} {0.637741207355 0.321504251996 0.317363766218} Si10 49 1
7 {} {0.678834476706 0.367652114525 0.266215001007} N5 50 1
7 {} {0.515580900291 0.24737449967 0.22864882375} N6 51 1
1 {} {0.652844780497 0.594031317198 0.370438398813} H22 52 1
1 {} {0.61867286157 0.613116928978 0.278048027663} H23 53 1
1 {} {0.529328077707 0.637485877265 0.378806188471} H24 54 1
1 {} {0.619473229474 0.491318654161 0.506673311304} H25 55 1
1 {} {0.561260133448 0.482334999299 0.52432479312} H26 56 1
1 {} {0.588286057483 0.558385760663 0.553617872725} H27 57 1
1 {} {0.626657668025 0.770643230033 0.523588501823} H28 58 1
1 {} {0.667499530802 0.706469833841 0.514778238697} H29 59 1
1 {} {0.612944758524 0.687314644343 0.55318344194} H30 60 1
1 {} {0.548480340047 0.761580987606 0.373787796496} H31 61 1
1 {} {0.659439912912 0.785872418798 0.343447144824} H32 62 1
1 {} {0.52304702894 0.423046302344 0.220368196009} H33 63 1
1 {} {0.599906163273 0.441032637318 0.171628144722} H34 64 1
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1 {} {0.64152976848 0.250096239412 0.289252383242} H38 68 1
1 {} {0.692037454863 0.408524227841 0.296533642777} H39 69 1
1 {} {0.681780729208 0.370680062636 0.198822184336} H40 70 1
1 {} {0.493497143414 0.270735888112 0.18773554046} H41 71 1
1 {} {0.533077046387 0.212019161123 0.194785927215} H42 72 1
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