iterations/neb0_image08_iter22.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 {{}}
Site int 1
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@data
6 {} {0.362037768627 0.525556513649 0.423542338185} C1 1 1
14 {} {0.343478035411 0.491990151176 0.534774728921} Si1 2 1
14 {} {0.415665728542 0.57233279474 0.417499028358} Si2 3 1
8 {} {0.346825352461 0.552223877 0.60992031056} O1 4 1
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6 {} {0.375204522948 0.41606629564 0.569977885245} C2 6 1
6 {} {0.46457973101 0.516708022765 0.410781605035} C3 7 1
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8 {} {0.416292389417 0.622418868784 0.328258280801} O4 9 1
14 {} {0.238265317467 0.475534948097 0.557241222057} Si3 10 1
7 {} {0.218656468617 0.396851715548 0.588721234601} N1 11 1
14 {} {0.182649443554 0.392584372147 0.680632048508} Si4 12 1
14 {} {0.234256128029 0.326843844708 0.524686532334} Si5 13 1
7 {} {0.235486700973 0.339122618344 0.411046446577} N2 14 1
7 {} {0.135086941255 0.440866760667 0.673491551669} N3 15 1
1 {} {0.362342835974 0.485010252487 0.373548589549} H1 16 1
1 {} {0.336798389615 0.56199000902 0.401399469993} H2 17 1
1 {} {0.370582803953 0.58444527724 0.596864203838} H3 18 1
1 {} {0.371856254631 0.375021520902 0.521575252926} H4 19 1
1 {} {0.362539682963 0.397989821217 0.634501247768} H5 20 1
1 {} {0.410908264899 0.427001282791 0.578306069694} H6 21 1
1 {} {0.497689470728 0.540024226873 0.412633980782} H7 22 1
1 {} {0.462460031897 0.483763730513 0.352344105813} H8 23 1
1 {} {0.461681445601 0.486001797529 0.47098815994} H9 24 1
1 {} {0.444676645745 0.641171915608 0.524742077774} H10 25 1
1 {} {0.446178819591 0.627166501776 0.303401309805} H11 26 1
1 {} {0.232555937843 0.521282006819 0.635208741881} H12 27 1
1 {} {0.21281891527 0.502212674644 0.479517103552} H13 28 1
1 {} {0.169786554818 0.32091663382 0.688793008606} H14 29 1
1 {} {0.20570352646 0.417015160908 0.76247073343} H15 30 1
1 {} {0.280192763027 0.305220894197 0.549629316208} H16 31 1
1 {} {0.201111053183 0.273489885315 0.545079802713} H17 32 1
1 {} {0.261894415885 0.363293384952 0.383230181681} H18 33 1
1 {} {0.206991802038 0.349978613246 0.377183299271} H19 34 1
1 {} {0.134934760079 0.488511259141 0.697129568172} H20 35 1
1 {} {0.112444349557 0.434956963467 0.623635769923} H21 36 1
6 {} {0.579700482891 0.357491275326 0.307984838509} C4 37 1
14 {} {0.577283313193 0.388467475493 0.426428504096} Si6 38 1
14 {} {0.563442573621 0.268531304241 0.290291252198} Si7 39 1
8 {} {0.606845615421 0.340577478156 0.494077866218} O5 40 1
8 {} {0.596969234398 0.465825743145 0.43034274417} O6 41 1
6 {} {0.518563771419 0.391046214065 0.465588340695} C5 42 1
6 {} {0.502535356458 0.257989898209 0.266784104662} C6 43 1
8 {} {0.578738229683 0.229925791075 0.384563144518} O7 44 1
8 {} {0.593146900203 0.23174174727 0.210373813424} O8 45 1
14 {} {0.640751362696 0.510822783794 0.458994399021} Si8 46 1
7 {} {0.625356809288 0.591904329823 0.486100124905} N4 47 1
14 {} {0.631914016075 0.619800208778 0.596418390472} Si9 48 1
14 {} {0.601498880694 0.645740986765 0.407008743758} Si10 49 1
7 {} {0.612716986069 0.626188687272 0.297624900056} N5 50 1
7 {} {0.684746227399 0.639799004855 0.633134468991} N6 51 1
1 {} {0.560011267753 0.389504086221 0.262687483539} H22 52 1
1 {} {0.614842740198 0.362753605417 0.288039946305} H23 53 1
1 {} {0.60212880865 0.293852871156 0.476388463268} H24 54 1
1 {} {0.502727208438 0.420776073249 0.413312440099} H25 55 1
1 {} {0.51526044536 0.418867296334 0.529238301016} H26 56 1
1 {} {0.499867008901 0.343473835953 0.467828545495} H27 57 1
1 {} {0.493232392237 0.204858494962 0.262182445956} H28 58 1
1 {} {0.493224146045 0.282074895169 0.203403252435} H29 59 1
1 {} {0.482126740361 0.280762556432 0.31963424548} H30 60 1
1 {} {0.581463619959 0.181577595275 0.382391121335} H31 61 1
1 {} {0.579913554813 0.227568923387 0.151705967788} H32 62 1
1 {} {0.662934187393 0.482263987182 0.539593814803} H33 63 1
1 {} {0.672562853752 0.510631151783 0.382333603992} H34 64 1
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1 {} {0.551685775705 0.644966950679 0.414499924748} H37 67 1
1 {} {0.618463484579 0.714681310828 0.424893646798} H38 68 1
1 {} {0.596261657641 0.588193910175 0.267185652549} H39 69 1
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1 {} {0.706147985343 0.602363819549 0.650565459145} H41 71 1
1 {} {0.701769180608 0.678832542603 0.605548652057} H42 72 1
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