iterations/neb0_image08_iter27.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
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Name string {{}}
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@data
6 {} {0.362131576292 0.525939161056 0.423419370656} C1 1 1
14 {} {0.343465137499 0.492170332157 0.534726859082} Si1 2 1
14 {} {0.415982336072 0.572062360478 0.417482468251} Si2 3 1
8 {} {0.346783270786 0.552307110417 0.609988006302} O1 4 1
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6 {} {0.375178091278 0.416134402901 0.569960266202} C2 6 1
6 {} {0.464652789921 0.516041746954 0.411362155454} C3 7 1
8 {} {0.41844411318 0.613527778026 0.515083404093} O3 8 1
8 {} {0.416317576149 0.62253291454 0.32894859886} O4 9 1
14 {} {0.23827777509 0.475599825515 0.557220183019} Si3 10 1
7 {} {0.218621209134 0.396938059233 0.588699545104} N1 11 1
14 {} {0.182616217866 0.392682277583 0.680614401363} Si4 12 1
14 {} {0.23422090641 0.326938159299 0.524682057735} Si5 13 1
7 {} {0.235453560163 0.339207405357 0.411055290798} N2 14 1
7 {} {0.135072962321 0.440941796188 0.673473076073} N3 15 1
1 {} {0.362345848182 0.485233486896 0.373543472154} H1 16 1
1 {} {0.336467857147 0.562033907293 0.401314074394} H2 17 1
1 {} {0.370546743461 0.584518451455 0.596894301635} H3 18 1
1 {} {0.371832817975 0.375090284389 0.521552023365} H4 19 1
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1 {} {0.497823762746 0.540431918119 0.412431026723} H7 22 1
1 {} {0.462634907358 0.483308882026 0.351930712564} H8 23 1
1 {} {0.462368896297 0.4844473309 0.471250304452} H9 24 1
1 {} {0.444563619752 0.641260923847 0.524890698111} H10 25 1
1 {} {0.445879218293 0.627377822236 0.303334920794} H11 26 1
1 {} {0.232527159891 0.521345016074 0.635195563611} H12 27 1
1 {} {0.212789004084 0.502276369171 0.479506884069} H13 28 1
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1 {} {0.205676325858 0.417087081275 0.762464352487} H15 30 1
1 {} {0.28016551516 0.305287077419 0.549625539999} H16 31 1
1 {} {0.201080717091 0.273547320633 0.545074443596} H17 32 1
1 {} {0.261860529865 0.363356596998 0.383232798145} H18 33 1
1 {} {0.206971051224 0.350045201529 0.377183430662} H19 34 1
1 {} {0.134907782433 0.4885649629 0.697116677225} H20 35 1
1 {} {0.112429125192 0.435027580492 0.623657206756} H21 36 1
6 {} {0.579844415052 0.357316416469 0.308166761954} C4 37 1
14 {} {0.576721268008 0.388385967711 0.427123934146} Si6 38 1
14 {} {0.563503164334 0.268433789087 0.290225634665} Si7 39 1
8 {} {0.607174978922 0.340411105703 0.49343531795} O5 40 1
8 {} {0.597032309689 0.465399468739 0.430488588238} O6 41 1
6 {} {0.518047377625 0.392130675425 0.464693015163} C5 42 1
6 {} {0.502556557246 0.257901335291 0.266798920515} C6 43 1
8 {} {0.578752197932 0.229850133545 0.384582368286} O7 44 1
8 {} {0.593189462262 0.231606490674 0.210324645756} O8 45 1
14 {} {0.640923193994 0.510847966563 0.459101668262} Si8 46 1
7 {} {0.625300549082 0.591940398605 0.485774191322} N4 47 1
14 {} {0.632077848823 0.619830236744 0.596514262205} Si9 48 1
14 {} {0.60153420871 0.64568961931 0.407252230743} Si10 49 1
7 {} {0.612703107761 0.626209351086 0.2976030257} N5 50 1
7 {} {0.68482735285 0.639690295619 0.633001524978} N6 51 1
1 {} {0.56006988502 0.389467835099 0.263025669498} H22 52 1
1 {} {0.615021643018 0.362605558696 0.287672778442} H23 53 1
1 {} {0.602359367076 0.293570411545 0.476675531101} H24 54 1
1 {} {0.501641212377 0.422224389717 0.413542848492} H25 55 1
1 {} {0.515202109052 0.418391919287 0.528955696746} H26 56 1
1 {} {0.500379422921 0.343833226737 0.46823609567} H27 57 1
1 {} {0.493273446582 0.204782123 0.262184426784} H28 58 1
1 {} {0.493251205435 0.28201136329 0.203420168747} H29 59 1
1 {} {0.48215533331 0.2807065353 0.319631490475} H30 60 1
1 {} {0.581490666628 0.181524970774 0.382407667202} H31 61 1
1 {} {0.579939961417 0.227483243689 0.15168858052} H32 62 1
1 {} {0.662932463126 0.482165807775 0.539543736127} H33 63 1
1 {} {0.672543984553 0.510524350283 0.382371929845} H34 64 1
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1 {} {0.551756305574 0.644883064134 0.414527737077} H37 67 1
1 {} {0.618481565809 0.714516339378 0.424918317885} H38 68 1
1 {} {0.59619952064 0.587963392373 0.267081517143} H39 69 1
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1 {} {0.706088078031 0.60247438933 0.650477819153} H41 71 1
1 {} {0.701723039078 0.678568167234 0.605690548169} H42 72 1
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