iterations/neb0_image07_iter12.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_image07
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
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@data
6 {} {0.360413455627 0.530682024419 0.423293318327} C1 1 1
14 {} {0.341377592358 0.497657534082 0.534355501888} Si1 2 1
14 {} {0.414840585659 0.574516219639 0.418629837851} Si2 3 1
8 {} {0.344667997605 0.557938480634 0.609564622659} O1 4 1
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8 {} {0.415651689356 0.624343364399 0.330462469586} O4 9 1
14 {} {0.236131660917 0.481228208357 0.556977383105} Si3 10 1
7 {} {0.216516367714 0.402500092831 0.58840039074} N1 11 1
14 {} {0.180494265328 0.398239845155 0.68024752199} Si4 12 1
14 {} {0.232107970945 0.332511965894 0.524373284228} Si5 13 1
7 {} {0.233326464177 0.344961029318 0.410820823222} N2 14 1
7 {} {0.13296207336 0.446577613787 0.673116070991} N3 15 1
1 {} {0.360015839468 0.490243393944 0.373221537253} H1 16 1
1 {} {0.335480692092 0.567726017014 0.401268020969} H2 17 1
1 {} {0.368451320043 0.590081627626 0.596498244284} H3 18 1
1 {} {0.369711462714 0.380662079934 0.521231678148} H4 19 1
1 {} {0.360378523808 0.403585190617 0.634232125629} H5 20 1
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1 {} {0.496119260097 0.543085116108 0.412305252388} H7 22 1
1 {} {0.462475116765 0.486324989983 0.352600061431} H8 23 1
1 {} {0.463702631667 0.485265845659 0.469592725305} H9 24 1
1 {} {0.442528477225 0.646558224131 0.524379518839} H10 25 1
1 {} {0.444330395135 0.632584347126 0.302677460087} H11 26 1
1 {} {0.230384801542 0.526911188414 0.634948965847} H12 27 1
1 {} {0.210654161182 0.507826876246 0.479258823994} H13 28 1
1 {} {0.167606186312 0.326535208189 0.688420506272} H14 29 1
1 {} {0.203526250522 0.422576576414 0.762149510667} H15 30 1
1 {} {0.278020404617 0.310852284493 0.549336175802} H16 31 1
1 {} {0.198984245284 0.279137874561 0.544759927578} H17 32 1
1 {} {0.259771798774 0.368923601511 0.38290061648} H18 33 1
1 {} {0.204840099947 0.355601854717 0.376850785605} H19 34 1
1 {} {0.132790127888 0.494178399069 0.69685448301} H20 35 1
1 {} {0.110296508582 0.440589836468 0.623320851336} H21 36 1
6 {} {0.581541955509 0.352035034268 0.308630558111} C4 37 1
14 {} {0.577373841795 0.384817807622 0.425907218221} Si6 38 1
14 {} {0.565571764354 0.262976777982 0.290652167259} Si7 39 1
8 {} {0.606014073206 0.336280404659 0.49379101672} O5 40 1
8 {} {0.599229474721 0.460506468177 0.430492766183} O6 41 1
6 {} {0.519165187915 0.390849842277 0.463696672125} C5 42 1
6 {} {0.50467683534 0.252331618662 0.267074514873} C6 43 1
8 {} {0.580738978781 0.224297693544 0.384945343991} O7 44 1
8 {} {0.595239211578 0.225916862822 0.210800370534} O8 45 1
14 {} {0.643077194707 0.50531557393 0.459175280157} Si8 46 1
7 {} {0.627526519021 0.586360696593 0.486430378475} N4 47 1
14 {} {0.634187430711 0.614233776043 0.596714374843} Si9 48 1
14 {} {0.60368112261 0.6401554357 0.407522454014} Si10 49 1
7 {} {0.614790298819 0.620893170944 0.297683975147} N5 50 1
7 {} {0.68691700221 0.633990920534 0.633149383121} N6 51 1
1 {} {0.562118593863 0.383777094409 0.262622603441} H22 52 1
1 {} {0.616853869604 0.357163559406 0.288996887367} H23 53 1
1 {} {0.603867855576 0.289283722115 0.476203158662} H24 54 1
1 {} {0.501040609639 0.422222401495 0.417285013034} H25 55 1
1 {} {0.516556206368 0.41508926526 0.528990356308} H26 56 1
1 {} {0.500914704745 0.343549277116 0.465186020972} H27 57 1
1 {} {0.495364100101 0.199215666357 0.262457897014} H28 58 1
1 {} {0.495410059241 0.276451863588 0.203697221228} H29 59 1
1 {} {0.484260268992 0.275166901158 0.319871986174} H30 60 1
1 {} {0.583555821524 0.175959996675 0.382715789372} H31 61 1
1 {} {0.582073518397 0.221908553717 0.152042256568} H32 62 1
1 {} {0.665141977388 0.476675465201 0.539956299937} H33 63 1
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1 {} {0.553875742931 0.639324765855 0.41486320564} H37 67 1
1 {} {0.620648205065 0.709059310063 0.425300309134} H38 68 1
1 {} {0.598449691037 0.58243781209 0.267547898724} H39 69 1
1 {} {0.646404467812 0.624431730439 0.273359562198} H40 70 1
1 {} {0.70822951899 0.596759126387 0.650840179702} H41 71 1
1 {} {0.703806469698 0.673026184978 0.605836660026} H42 72 1
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