iterations/neb0_image08_iter21.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 {} {0.362026980232 0.525537728058 0.423558694287} C1 1 1
14 {} {0.343445385304 0.492042340625 0.534767118472} Si1 2 1
14 {} {0.415795538787 0.572024995209 0.417613945523} Si2 3 1
8 {} {0.346798628836 0.552295063203 0.609901377787} O1 4 1
8 {} {0.29064271164 0.46988337664 0.526666829369} O2 5 1
6 {} {0.375178742768 0.41613782888 0.569977201766} C2 6 1
6 {} {0.464600414872 0.516543344548 0.410939383487} C3 7 1
8 {} {0.418614147691 0.613037490329 0.515918653481} O3 8 1
8 {} {0.416381065423 0.6221728423 0.328393013902} O4 9 1
14 {} {0.238228066893 0.475607376597 0.557249391681} Si3 10 1
7 {} {0.218632304558 0.396927912291 0.58871912405} N1 11 1
14 {} {0.182621423094 0.392650719832 0.680622319095} Si4 12 1
14 {} {0.23422943081 0.326919522947 0.524687704561} Si5 13 1
7 {} {0.235460194238 0.339200921558 0.411050793748} N2 14 1
7 {} {0.135060506418 0.440939046637 0.673483428731} N3 15 1
1 {} {0.362298669302 0.485031288596 0.373545169714} H1 16 1
1 {} {0.33687622009 0.562079694629 0.401418679295} H2 17 1
1 {} {0.370558412428 0.584516329593 0.596853389535} H3 18 1
1 {} {0.371830020252 0.375094771002 0.521569733996} H4 19 1
1 {} {0.362511988927 0.398057487115 0.634500891223} H5 20 1
1 {} {0.410878700638 0.427073084 0.578304093676} H6 21 1
1 {} {0.49773676167 0.539845783532 0.412637092077} H7 22 1
1 {} {0.46262144474 0.483515277968 0.352292653765} H8 23 1
1 {} {0.461986457553 0.485559480195 0.470926530777} H9 24 1
1 {} {0.444668865841 0.641224153121 0.524718451364} H10 25 1
1 {} {0.446222937505 0.627194551721 0.303358465587} H11 26 1
1 {} {0.232527015401 0.521355096323 0.635213529148} H12 27 1
1 {} {0.212789952837 0.502283232658 0.479518528516} H13 28 1
1 {} {0.169756720127 0.320987613239 0.688780679192} H14 29 1
1 {} {0.205673642287 0.417077982527 0.762468199645} H15 30 1
1 {} {0.280166678599 0.305291463251 0.549630335113} H16 31 1
1 {} {0.201086016166 0.273561915762 0.545075147646} H17 32 1
1 {} {0.261870267455 0.363364362268 0.38322521252} H18 33 1
1 {} {0.206965544641 0.350047192356 0.377178166092} H19 34 1
1 {} {0.134906870197 0.488582317988 0.697129468952} H20 35 1
1 {} {0.112415848381 0.435028210937 0.623627246131} H21 36 1
6 {} {0.579690517648 0.357453037449 0.307974060094} C4 37 1
14 {} {0.577160823037 0.388565362496 0.426279051804} Si6 38 1
14 {} {0.563461583161 0.268459391141 0.290319966362} Si7 39 1
8 {} {0.606571244119 0.34065121148 0.494123243307} O5 40 1
8 {} {0.597028929096 0.465879044687 0.430326363366} O6 41 1
6 {} {0.51846301994 0.391375896901 0.465264870646} C5 42 1
6 {} {0.502562418438 0.257923132472 0.26678105167} C6 43 1
8 {} {0.578763813714 0.229851326432 0.384568040007} O7 44 1
8 {} {0.593169843721 0.231667939072 0.210392376228} O8 45 1
14 {} {0.640772045506 0.510742713331 0.459000509858} Si8 46 1
7 {} {0.625390068293 0.591840200176 0.486069128108} N4 47 1
14 {} {0.631934273571 0.619725151039 0.596457538925} Si9 48 1
14 {} {0.601531707334 0.645675262249 0.407021962353} Si10 49 1
7 {} {0.612749155832 0.626138345868 0.297552029765} N5 50 1
7 {} {0.684748777768 0.639714058315 0.633103059292} N6 51 1
1 {} {0.560030112547 0.389419529618 0.262623099566} H22 52 1
1 {} {0.614832418312 0.362694886162 0.288148586167} H23 53 1
1 {} {0.602091862545 0.293879788463 0.476304845987} H24 54 1
1 {} {0.502497946242 0.4212591749 0.413652481706} H25 55 1
1 {} {0.515209794067 0.419079780823 0.529398064879} H26 56 1
1 {} {0.499734517111 0.343902099227 0.467523130461} H27 57 1
1 {} {0.493252874527 0.204785819296 0.26218067117} H28 58 1
1 {} {0.493255009724 0.282006085165 0.203405379161} H29 59 1
1 {} {0.482150880838 0.280697758262 0.319628955674} H30 60 1
1 {} {0.581482117254 0.181509406107 0.382395008599} H31 61 1
1 {} {0.579941566481 0.227498729409 0.151720248244} H32 62 1
1 {} {0.662965883316 0.482200297093 0.539597323663} H33 63 1
1 {} {0.672605429971 0.510569815816 0.38232690937} H34 64 1
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1 {} {0.615606651628 0.566805973524 0.657738298577} H36 66 1
1 {} {0.551718458993 0.644893189429 0.414514130183} H37 67 1
1 {} {0.618494628456 0.714615128094 0.424915260511} H38 68 1
1 {} {0.596303671263 0.5881336239 0.267221070766} H39 69 1
1 {} {0.644170732723 0.63004690421 0.273160673653} H40 70 1
1 {} {0.706184100599 0.602269157732 0.650579439353} H41 71 1
1 {} {0.701799093634 0.678774085702 0.605526993079} H42 72 1
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