./iterations/neb0_image03_iter7.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_image03
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
WyckoffPosition int -1
@end
@data
6 {} {0.352956956008 0.550256652947 0.422163858852} C1 1 1
14 {} {0.333922973295 0.517252258642 0.533238253658} Si1 2 1
14 {} {0.408189752531 0.592436834449 0.417955468895} Si2 3 1
8 {} {0.33715531442 0.577516066906 0.608483176718} O1 4 1
8 {} {0.28095234735 0.495296354873 0.525274883953} O2 5 1
6 {} {0.365549954371 0.441282523604 0.568627703531} C2 6 1
6 {} {0.45723818075 0.534834767821 0.411698129495} C3 7 1
8 {} {0.409804982407 0.636767284996 0.513080819295} O3 8 1
8 {} {0.408500821604 0.643325146498 0.330190243828} O4 9 1
14 {} {0.228688089019 0.500873052602 0.555887097974} Si3 10 1
7 {} {0.209025527499 0.422151588544 0.587318994583} N1 11 1
14 {} {0.172977428818 0.417838715733 0.679127639139} Si4 12 1
14 {} {0.224608911148 0.352147778611 0.523345106129} Si5 13 1
7 {} {0.225826332598 0.364570660756 0.409769746995} N2 14 1
7 {} {0.125461423111 0.466166868121 0.671990898499} N3 15 1
1 {} {0.352507447392 0.509822929867 0.37212642109} H1 16 1
1 {} {0.328017553735 0.58740580558 0.400164408919} H2 17 1
1 {} {0.360947920519 0.609677354709 0.595417818552} H3 18 1
1 {} {0.362224644553 0.400288929959 0.520123165938} H4 19 1
1 {} {0.352877243982 0.423224459316 0.633123530553} H5 20 1
1 {} {0.401265594401 0.452262995329 0.576902925268} H6 21 1
1 {} {0.489041586825 0.562440047465 0.410944641695} H7 22 1
1 {} {0.455824722242 0.504210406418 0.35074344689} H8 23 1
1 {} {0.458204905833 0.500662448406 0.469119880863} H9 24 1
1 {} {0.435039111693 0.666118634296 0.523357779455} H10 25 1
1 {} {0.436857988855 0.652084619644 0.301409579529} H11 26 1
1 {} {0.222885104636 0.546530042797 0.633891496382} H12 27 1
1 {} {0.203150171208 0.527433573754 0.478180044705} H13 28 1
1 {} {0.160096051045 0.346119168806 0.687309449712} H14 29 1
1 {} {0.196018459496 0.442156964258 0.761054640404} H15 30 1
1 {} {0.270530859068 0.330463969686 0.548272713494} H16 31 1
1 {} {0.191484252601 0.298738231504 0.543664075878} H17 32 1
1 {} {0.252276749457 0.388524149373 0.381819181598} H18 33 1
1 {} {0.197357756731 0.375192602317 0.375767310599} H19 34 1
1 {} {0.125281838234 0.513764458174 0.695772347856} H20 35 1
1 {} {0.102803816924 0.460200432159 0.622231219635} H21 36 1
6 {} {0.589010488785 0.332393910869 0.309716472896} C4 37 1
14 {} {0.584238930346 0.365957192885 0.426712800314} Si6 38 1
14 {} {0.573057930091 0.243326065464 0.291753804227} Si7 39 1
8 {} {0.612891654372 0.316875865908 0.494736454273} O5 40 1
8 {} {0.606860559025 0.440980478767 0.431692130235} O6 41 1
6 {} {0.524993212722 0.374615811431 0.463330633983} C5 42 1
6 {} {0.512163369179 0.232700022071 0.268165705633} C6 43 1
8 {} {0.588292652307 0.204678081285 0.386060277165} O7 44 1
8 {} {0.602751711727 0.206291072023 0.211895514259} O8 45 1
14 {} {0.650624489261 0.485832873741 0.460349658135} Si8 46 1
7 {} {0.635098529558 0.566877529091 0.487409822344} N4 47 1
14 {} {0.64147028445 0.594515344761 0.597691326301} Si9 48 1
14 {} {0.611192082045 0.620553599761 0.408268455655} Si10 49 1
7 {} {0.622196634381 0.601511827047 0.298644180528} N5 50 1
7 {} {0.694471675928 0.614336491081 0.634001028289} N6 51 1
1 {} {0.569596924302 0.36416641089 0.263757876398} H22 52 1
1 {} {0.624340827389 0.337543861173 0.290120317686} H23 53 1
1 {} {0.611313281892 0.269762999368 0.477225115163} H24 54 1
1 {} {0.505901221582 0.407583469607 0.418766396118} H25 55 1
1 {} {0.523761832347 0.396131738731 0.530814561155} H26 56 1
1 {} {0.508195784133 0.325736906388 0.46569473237} H27 57 1
1 {} {0.502835232765 0.179597582406 0.26352010199} H28 58 1
1 {} {0.50291917514 0.256870979573 0.20480127586} H29 59 1
1 {} {0.491743315617 0.255610275226 0.320906151435} H30 60 1
1 {} {0.591021889518 0.156347542885 0.383815326205} H31 61 1
1 {} {0.589572457016 0.202306980908 0.153175958996} H32 62 1
1 {} {0.67262967714 0.457043450834 0.541034472314} H33 63 1
1 {} {0.682331088969 0.485428531681 0.383722554648} H34 64 1
1 {} {0.614072527062 0.656695024361 0.60448602683} H35 65 1
1 {} {0.625224920717 0.541569809155 0.659625663425} H36 66 1
1 {} {0.561463246117 0.619716640872 0.416076629822} H37 67 1
1 {} {0.628172287765 0.689390603929 0.426543977011} H38 68 1
1 {} {0.605917620594 0.562744952787 0.268730544681} H39 69 1
1 {} {0.653979596116 0.604842521518 0.274447815551} H40 70 1
1 {} {0.715699025941 0.577215406268 0.651910669814} H41 71 1
1 {} {0.711273055149 0.653335698578 0.606933762884} H42 72 1
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