iterations/neb0_image07_iter3.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 {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
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@data
6 {} {0.360353178447 0.530940870792 0.423233569658} C1 1 1
14 {} {0.341250877787 0.497931350387 0.534318452696} Si1 2 1
14 {} {0.415540568824 0.57324827528 0.418954146245} Si2 3 1
8 {} {0.344544108681 0.558211489671 0.609541474112} O1 4 1
8 {} {0.288411649991 0.475971302387 0.526346281991} O2 5 1
6 {} {0.372939296289 0.421966306545 0.569691199352} C2 6 1
6 {} {0.464159789123 0.516391409502 0.412842224899} C3 7 1
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8 {} {0.415864194182 0.623975669438 0.331211836808} O4 9 1
14 {} {0.23602287778 0.481519422169 0.556984659615} Si3 10 1
7 {} {0.216401067419 0.402847908948 0.588396181144} N1 11 1
14 {} {0.180365526674 0.39852061262 0.680204785046} Si4 12 1
14 {} {0.231996116001 0.332846921679 0.524420427457} Si5 13 1
7 {} {0.233223324241 0.345205418316 0.410842479136} N2 14 1
7 {} {0.132854643507 0.446834471951 0.673073955321} N3 15 1
1 {} {0.359883834515 0.490506775825 0.373197090021} H1 16 1
1 {} {0.335406822802 0.568106800605 0.401236366038} H2 17 1
1 {} {0.368326741877 0.590353304517 0.596497478901} H3 18 1
1 {} {0.369609321518 0.380974191089 0.521188857804} H4 19 1
1 {} {0.360258740618 0.403915002002 0.634186112283} H5 20 1
1 {} {0.408647707715 0.432946803256 0.577979637945} H6 21 1
1 {} {0.496413421448 0.543093476571 0.412053686896} H7 22 1
1 {} {0.463111344389 0.485030998071 0.351769060011} H8 23 1
1 {} {0.4652996301 0.482039019272 0.470023750721} H9 24 1
1 {} {0.442431704591 0.646797956694 0.524418130055} H10 25 1
1 {} {0.444238751133 0.632776005547 0.302513403242} H11 26 1
1 {} {0.230262611674 0.527214982578 0.634969690458} H12 27 1
1 {} {0.210525566804 0.508116545904 0.479254261919} H13 28 1
1 {} {0.167472430966 0.326788727547 0.688379230413} H14 29 1
1 {} {0.20339962132 0.422834912387 0.76214617188} H15 30 1
1 {} {0.277928262315 0.311141624542 0.549361380148} H16 31 1
1 {} {0.198869107045 0.279415757769 0.544737812887} H17 32 1
1 {} {0.259651798548 0.369201980608 0.382904832353} H18 33 1
1 {} {0.20474495165 0.355869224728 0.376840804061} H19 34 1
1 {} {0.132661240991 0.494415808671 0.696837533363} H20 35 1
1 {} {0.110182348624 0.440887450382 0.623293350838} H21 36 1
6 {} {0.581635750155 0.351739712447 0.308633295911} C4 37 1
14 {} {0.57676901095 0.38507110067 0.425795981604} Si6 38 1
14 {} {0.565676214616 0.262621793451 0.290722624507} Si7 39 1
8 {} {0.605542058915 0.336210957078 0.49362555324} O5 40 1
8 {} {0.599515252666 0.460422958724 0.430601945583} O6 41 1
6 {} {0.517900693547 0.393354788593 0.461960941365} C5 42 1
6 {} {0.504777321282 0.252036890593 0.26708123261} C6 43 1
8 {} {0.580939156359 0.224004876825 0.384980205736} O7 44 1
8 {} {0.59538333381 0.225637554188 0.210841653289} O8 45 1
14 {} {0.643253989349 0.505107391861 0.459344836941} Si8 46 1
7 {} {0.627638903771 0.586244835877 0.485974470342} N4 47 1
14 {} {0.634231700253 0.61394048643 0.596947418489} Si9 48 1
14 {} {0.603842831687 0.639910370015 0.407459802441} Si10 49 1
7 {} {0.614873770649 0.620781014242 0.297192829709} N5 50 1
7 {} {0.686901840287 0.633577197076 0.632821649216} N6 51 1
1 {} {0.562212173066 0.383482823281 0.262670526} H22 52 1
1 {} {0.616954290423 0.356860128421 0.289038620192} H23 53 1
1 {} {0.603926006184 0.289084912158 0.476160314944} H24 54 1
1 {} {0.499075289751 0.42584046853 0.417996585726} H25 55 1
1 {} {0.516402332452 0.415440811355 0.529766690034} H26 56 1
1 {} {0.500853336633 0.344967442706 0.464678928315} H27 57 1
1 {} {0.495441609536 0.198918867432 0.262434780682} H28 58 1
1 {} {0.495541418033 0.27619602988 0.203714457211} H29 59 1
1 {} {0.48435530995 0.274939643497 0.319823721675} H30 60 1
1 {} {0.583622538652 0.175650855301 0.382747249359} H31 61 1
1 {} {0.582184676994 0.221620193262 0.152105723797} H32 62 1
1 {} {0.665230740625 0.476363775081 0.539913663038} H33 63 1
1 {} {0.674952142182 0.504753551169 0.382634106855} H34 64 1
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1 {} {0.554099142681 0.638988961383 0.41501387124} H37 67 1
1 {} {0.620770706029 0.7086716956 0.425512244302} H38 68 1
1 {} {0.59856276417 0.582091829736 0.267716695997} H39 69 1
1 {} {0.646542628898 0.624175571543 0.273448560607} H40 70 1
1 {} {0.708347703238 0.59649399213 0.650850541348} H41 71 1
1 {} {0.703931806984 0.672722955648 0.605789508234} H42 72 1
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