iterations/neb0_image08_iter2.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 {{}}
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@data
6 {} {0.362154821785 0.526183012905 0.423497140236} C1 1 1
14 {} {0.343116407807 0.493180586571 0.534552776535} Si1 2 1
14 {} {0.417394953746 0.568308000857 0.419305556694} Si2 3 1
8 {} {0.346357344468 0.553452375014 0.609817754902} O1 4 1
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6 {} {0.374752040431 0.417215557681 0.569946966034} C2 6 1
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8 {} {0.417714810393 0.619191366166 0.331522303567} O4 9 1
14 {} {0.237866905932 0.476805625217 0.557225699518} Si3 10 1
7 {} {0.218217343456 0.398085780781 0.588658457107} N1 11 1
14 {} {0.182180630941 0.393731085924 0.680502663238} Si4 12 1
14 {} {0.233821982389 0.328074179771 0.52472245812} Si5 13 1
7 {} {0.235040496284 0.340439394999 0.411106223268} N2 14 1
7 {} {0.134674314823 0.442065052929 0.673321949179} N3 15 1
1 {} {0.361706081116 0.485750726377 0.373462803551} H1 16 1
1 {} {0.337222250052 0.563355819117 0.40149775089} H2 17 1
1 {} {0.370144329785 0.585586079088 0.596761836661} H3 18 1
1 {} {0.371431112195 0.376217326445 0.521448847519} H4 19 1
1 {} {0.362077396796 0.399158585021 0.634450685858} H5 20 1
1 {} {0.410464078055 0.428192595124 0.578240459473} H6 21 1
1 {} {0.498246709135 0.538348052966 0.412263631265} H7 22 1
1 {} {0.465034886004 0.480118993262 0.352060395938} H8 23 1
1 {} {0.467413001956 0.476579024286 0.47046139648} H9 24 1
1 {} {0.444251460485 0.642027390308 0.524693873301} H10 25 1
1 {} {0.44605872502 0.627999052531 0.302754748463} H11 26 1
1 {} {0.232078567273 0.522450683223 0.63524010185} H12 27 1
1 {} {0.212342234939 0.503349430116 0.479528712181} H13 28 1
1 {} {0.169289200205 0.322034699515 0.688636054872} H14 29 1
1 {} {0.205216576888 0.418069274187 0.762403827611} H15 30 1
1 {} {0.279747615076 0.306385105375 0.549632254062} H16 31 1
1 {} {0.200687734563 0.274656046059 0.54499732918} H17 32 1
1 {} {0.261473496046 0.36444179112 0.383166908395} H18 33 1
1 {} {0.206565214359 0.351105711674 0.377099715269} H19 34 1
1 {} {0.134476339085 0.489651445245 0.697103403176} H20 35 1
1 {} {0.112000772444 0.436130528189 0.623557960651} H21 36 1
6 {} {0.579807113221 0.356475801759 0.308367723517} C4 37 1
14 {} {0.575026535915 0.390034395035 0.42535951019} Si6 38 1
14 {} {0.563856300611 0.267387820097 0.290460391394} Si7 39 1
8 {} {0.603659940803 0.340970963913 0.49337546738} O5 40 1
8 {} {0.597679054239 0.465084652192 0.430374078194} O6 41 1
6 {} {0.515794839494 0.398704890169 0.461972025292} C5 42 1
6 {} {0.502953842721 0.256784827007 0.266819477484} C6 43 1
8 {} {0.579137971046 0.228757540226 0.384730849712} O7 44 1
8 {} {0.593573872095 0.230393350941 0.210571117661} O8 45 1
14 {} {0.641408806118 0.509926573733 0.459028940359} Si8 46 1
7 {} {0.625911656342 0.591009934516 0.486093517838} N4 47 1
14 {} {0.632168140065 0.618560351218 0.596410330277} Si9 48 1
14 {} {0.602028379989 0.644664805338 0.40663436889} Si10 49 1
7 {} {0.613018453941 0.625619351117 0.297038671262} N5 50 1
7 {} {0.685182231641 0.638370759672 0.63256176051} N6 51 1
1 {} {0.560391571468 0.388243479171 0.262425352802} H22 52 1
1 {} {0.615134437656 0.361621176935 0.288778825855} H23 53 1
1 {} {0.602105719705 0.293831868336 0.475893180963} H24 54 1
1 {} {0.496692422146 0.431657651472 0.417439906266} H25 55 1
1 {} {0.514561451712 0.42022298152 0.529501827349} H26 56 1
1 {} {0.498989910656 0.349830380026 0.464368467051} H27 57 1
1 {} {0.493617113576 0.203681397111 0.262163271128} H28 58 1
1 {} {0.493723415286 0.280967045617 0.203443520394} H29 59 1
1 {} {0.482531570398 0.279713279712 0.319547242628} H30 60 1
1 {} {0.581794500145 0.180410857516 0.38248462755} H31 61 1
1 {} {0.5803648952 0.226381187023 0.151850549379} H32 62 1
1 {} {0.663414013277 0.481114461897 0.53967048689} H33 63 1
1 {} {0.673140713706 0.509500304646 0.382382106277} H34 64 1
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1 {} {0.552291726336 0.643749187142 0.414798727389} H37 67 1
1 {} {0.618956859919 0.713439469977 0.425322039956} H38 68 1
1 {} {0.596762811317 0.586873686823 0.267523135536} H39 69 1
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1 {} {0.706550350733 0.601217238077 0.650617186831} H41 71 1
1 {} {0.702129008613 0.677523791258 0.60549890042} H42 72 1
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