iterations/neb0_image02_iter26.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_image02
@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 {} {0.35109241839 0.555081215599 0.421930880333} C1 1 1
14 {} {0.332010159079 0.522012832088 0.532979257464} Si1 2 1
14 {} {0.406305907048 0.597220045922 0.417736826043} Si2 3 1
8 {} {0.335355074752 0.582282481927 0.608257794187} O1 4 1
8 {} {0.279116704788 0.500007739366 0.524974604171} O2 5 1
6 {} {0.363685242499 0.446061751743 0.568373342363} C2 6 1
6 {} {0.455408525395 0.539635836915 0.411447807244} C3 7 1
8 {} {0.407935797532 0.641659360546 0.512810101715} O3 8 1
8 {} {0.406665725093 0.648176103094 0.329963557188} O4 9 1
14 {} {0.226785486037 0.505630815926 0.555577664914} Si3 10 1
7 {} {0.20715189466 0.426963305155 0.587007218137} N1 11 1
14 {} {0.171143806889 0.422704297718 0.678923023498} Si4 12 1
14 {} {0.222764684816 0.356962301829 0.522966561653} Si5 13 1
7 {} {0.223990114964 0.369231339582 0.409345845976} N2 14 1
7 {} {0.123606976224 0.470976060483 0.67184001976} N3 15 1
1 {} {0.35065960137 0.514645240708 0.371901939459} H1 16 1
1 {} {0.32614511664 0.592203577659 0.399893432426} H2 17 1
1 {} {0.359085853624 0.614435017069 0.595112345791} H3 18 1
1 {} {0.360368106076 0.405066501603 0.519884108841} H4 19 1
1 {} {0.351037046133 0.428002001558 0.632890664137} H5 20 1
1 {} {0.39939366066 0.457090902771 0.576626568303} H6 21 1
1 {} {0.487193715634 0.567282966722 0.410687544013} H7 22 1
1 {} {0.45399553176 0.509037454818 0.350477094676} H8 23 1
1 {} {0.456381450211 0.505462169719 0.468874912498} H9 24 1
1 {} {0.433158088375 0.6709990577 0.523060769443} H10 25 1
1 {} {0.434976942868 0.656857197388 0.301130966646} H11 26 1
1 {} {0.221040158511 0.5513491345 0.633564823354} H12 27 1
1 {} {0.201302120938 0.532281221861 0.47784447697} H13 28 1
1 {} {0.158284784513 0.350980034799 0.687125975067} H14 29 1
1 {} {0.194210665036 0.447081216657 0.760780230529} H15 30 1
1 {} {0.26869727194 0.335288534369 0.547923622983} H16 31 1
1 {} {0.189634254847 0.303557315392 0.543374783919} H17 32 1
1 {} {0.250393029402 0.393325287952 0.381498921938} H18 33 1
1 {} {0.195494008059 0.38005363067 0.375460187772} H19 34 1
1 {} {0.123451700861 0.518594038297 0.695447892571} H20 35 1
1 {} {0.100962711368 0.465034682372 0.621999579026} H21 36 1
6 {} {0.590857201891 0.327618842469 0.309992570672} C4 37 1
14 {} {0.586080489732 0.361067798184 0.42699758501} Si6 38 1
14 {} {0.574920765542 0.238558604473 0.292003462391} Si7 39 1
8 {} {0.614690646624 0.312023014322 0.495034785967} O5 40 1
8 {} {0.60875015152 0.43610491988 0.432019080141} O6 41 1
6 {} {0.526824522895 0.369875487165 0.463580915219} C5 42 1
6 {} {0.514027082259 0.227839666776 0.268431169364} C6 43 1
8 {} {0.590148857409 0.199878151647 0.386300546146} O7 44 1
8 {} {0.604699592992 0.201720521825 0.212114136643} O8 45 1
14 {} {0.652462288495 0.480990459979 0.460684837282} Si8 46 1
7 {} {0.636952807402 0.562075582389 0.487611566732} N4 47 1
14 {} {0.643438200706 0.589779377519 0.598106509199} Si9 48 1
14 {} {0.612975132854 0.615743224385 0.408754598042} Si10 49 1
7 {} {0.624215036408 0.596305544514 0.298990957631} N5 50 1
7 {} {0.696177066794 0.609614952054 0.634573905845} N6 51 1
1 {} {0.571449300472 0.359399106102 0.264035070759} H22 52 1
1 {} {0.626193809467 0.332746084646 0.290407429719} H23 53 1
1 {} {0.613179136376 0.264865202723 0.477455791535} H24 54 1
1 {} {0.50772580992 0.402868115925 0.419004926005} H25 55 1
1 {} {0.525592624452 0.391331908646 0.531110683302} H26 56 1
1 {} {0.5100222079 0.320982611143 0.465897474357} H27 57 1
1 {} {0.504745550498 0.174714013191 0.263828980225} H28 58 1
1 {} {0.504718651849 0.252003295324 0.205102269435} H29 59 1
1 {} {0.493620690198 0.250695308122 0.321234987144} H30 60 1
1 {} {0.592968598252 0.151541066212 0.383986259133} H31 61 1
1 {} {0.591428576113 0.197529374499 0.153422954917} H32 62 1
1 {} {0.674490984936 0.452242228413 0.541313541091} H33 63 1
1 {} {0.684134340997 0.480613425935 0.383961781021} H34 64 1
1 {} {0.615906726291 0.651843970982 0.604606514321} H35 65 1
1 {} {0.627060271707 0.536692788387 0.659716649582} H36 66 1
1 {} {0.56328180783 0.615025266385 0.416315180769} H37 67 1
1 {} {0.630033073212 0.684538008309 0.426599609377} H38 68 1
1 {} {0.607650277005 0.558033152699 0.268927307855} H39 69 1
1 {} {0.655725649971 0.599992666751 0.274813548708} H40 70 1
1 {} {0.717588293878 0.572378768723 0.652220670948} H41 71 1
1 {} {0.713211406335 0.6486611457 0.607232694042} H42 72 1
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