iterations/neb0_image08_iter5.sci output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
#MD System 2.0
@Title neb0_image08
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
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@data
6 {} {0.362214482352 0.526052219859 0.423525742324} C1 1 1
14 {} {0.343123531779 0.49305479945 0.534565945356} Si1 2 1
14 {} {0.417321674778 0.568544214005 0.419131918575} Si2 3 1
8 {} {0.346411849805 0.553309547632 0.609810155079} O1 4 1
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8 {} {0.417696106428 0.619182953611 0.331415966734} O4 9 1
14 {} {0.237895685168 0.476652167506 0.557241575926} Si3 10 1
7 {} {0.218270746117 0.397968635218 0.588668335695} N1 11 1
14 {} {0.182222224758 0.393638593898 0.680502387093} Si4 12 1
14 {} {0.233862747245 0.327959921722 0.524697654578} Si5 13 1
7 {} {0.235088472891 0.340298926239 0.411106523654} N2 14 1
7 {} {0.134716550228 0.44193575201 0.673343288022} N3 15 1
1 {} {0.361748353269 0.485628227423 0.373466717753} H1 16 1
1 {} {0.337273958673 0.563224751863 0.401508388361} H2 17 1
1 {} {0.370192382155 0.585475684732 0.596766514985} H3 18 1
1 {} {0.371473704164 0.376092357701 0.521460780482} H4 19 1
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1 {} {0.498235093191 0.538203106706 0.412367625603} H7 22 1
1 {} {0.464855030084 0.480392890254 0.352070098466} H8 23 1
1 {} {0.466798588309 0.477895598339 0.470262607294} H9 24 1
1 {} {0.444294453006 0.64191914923 0.524681923655} H10 25 1
1 {} {0.446101015245 0.627900474084 0.302802381397} H11 26 1
1 {} {0.232128785361 0.522334472392 0.635240518841} H12 27 1
1 {} {0.212392507494 0.503235956706 0.479524898464} H13 28 1
1 {} {0.169339991905 0.321912171605 0.688649854258} H14 29 1
1 {} {0.205265887414 0.417955629265 0.762415294563} H15 30 1
1 {} {0.279794479935 0.306263289562 0.549632731981} H16 31 1
1 {} {0.200734097743 0.274537676606 0.545008014315} H17 32 1
1 {} {0.261516796482 0.364323842934 0.383175515242} H18 33 1
1 {} {0.206611848778 0.350988261916 0.377113323583} H19 34 1
1 {} {0.134525223987 0.489531299696 0.697107701514} H20 35 1
1 {} {0.112047889446 0.436008599501 0.623566232417} H21 36 1
6 {} {0.579763208464 0.356622600624 0.30834095557} C4 37 1
14 {} {0.574928847612 0.389842933734 0.425620407938} Si6 38 1
14 {} {0.563817051268 0.267494740239 0.290480635638} Si7 39 1
8 {} {0.603734415262 0.341070489287 0.493360596609} O5 40 1
8 {} {0.59762013531 0.46529591003 0.430317544949} O6 41 1
6 {} {0.516450510931 0.397522170177 0.461882444898} C5 42 1
6 {} {0.502908957397 0.256919693305 0.266803970731} C6 43 1
8 {} {0.579096112413 0.22887795049 0.384705583537} O7 44 1
8 {} {0.593521846271 0.230541726302 0.210566277219} O8 45 1
14 {} {0.641393359113 0.509981465547 0.459094712772} Si8 46 1
7 {} {0.625785577769 0.591121923472 0.485773213041} N4 47 1
14 {} {0.632341781232 0.618808197934 0.596606636216} Si9 48 1
14 {} {0.601982139794 0.644803759311 0.407121324189} Si10 49 1
7 {} {0.61299773628 0.625667831164 0.296976709002} N5 50 1
7 {} {0.685069072298 0.638478975497 0.632565689853} N6 51 1
1 {} {0.560344350722 0.38836779297 0.262384298998} H22 52 1
1 {} {0.615089115015 0.361747268601 0.28876378103} H23 53 1
1 {} {0.602061379063 0.293966753203 0.47589381299} H24 54 1
1 {} {0.497747660591 0.429710966377 0.417728256901} H25 55 1
1 {} {0.514573762794 0.420250130737 0.529396091278} H26 56 1
1 {} {0.499005126953 0.349693743156 0.46445237993} H27 57 1
1 {} {0.493573055685 0.203803901881 0.262163498763} H28 58 1
1 {} {0.493672850458 0.281077952194 0.203437932165} H29 59 1
1 {} {0.482490913022 0.279820526425 0.319557085014} H30 60 1
1 {} {0.581757271511 0.180531289907 0.382474834721} H31 61 1
1 {} {0.580318804751 0.226503733896 0.151836127799} H32 62 1
1 {} {0.663365490961 0.481246551284 0.539652123855} H33 63 1
1 {} {0.673086117622 0.509637915456 0.382365103453} H34 64 1
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1 {} {0.615968028059 0.565752767692 0.658365353026} H36 66 1
1 {} {0.552224615378 0.643867751042 0.414741083977} H37 67 1
1 {} {0.61890357947 0.713561179505 0.425242331663} H38 68 1
1 {} {0.596697843838 0.586970933548 0.267435967248} H39 69 1
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1 {} {0.706476650243 0.601380160857 0.650578181474} H41 71 1
1 {} {0.702061762679 0.677600489368 0.60552385642} H42 72 1
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