./iterations/neb0_image04_iter28.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_image04
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
WyckoffPosition int -1
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@data
6 {} {0.354790880681 0.545419180708 0.42244769195} C1 1 1
14 {} {0.335753668091 0.512320783222 0.533496304116} Si1 2 1
14 {} {0.409909458118 0.587863227145 0.418174191533} Si2 3 1
8 {} {0.3390506153 0.572557863995 0.608758144619} O1 4 1
8 {} {0.282835252712 0.490245426419 0.525511404888} O2 5 1
6 {} {0.367415168799 0.436385684857 0.568902904453} C2 6 1
6 {} {0.458927536092 0.530393192811 0.411839841511} C3 7 1
8 {} {0.411615504487 0.632008245346 0.513454185594} O3 8 1
8 {} {0.410259179946 0.638841016423 0.330450155405} O4 9 1
14 {} {0.230530876738 0.495916148325 0.556089401491} Si3 10 1
7 {} {0.210855203485 0.417243303108 0.587557881614} N1 11 1
14 {} {0.174859367725 0.412964042625 0.679485455435} Si4 12 1
14 {} {0.226441632531 0.347200735239 0.523589042349} Si5 13 1
7 {} {0.227679240376 0.359484084086 0.409945931964} N2 14 1
7 {} {0.127317888455 0.46124650405 0.672361340729} N3 15 1
1 {} {0.354400438751 0.504978663273 0.372407808319} H1 16 1
1 {} {0.329810126445 0.582493035254 0.400426628774} H2 17 1
1 {} {0.362799807521 0.604762321778 0.595651807922} H3 18 1
1 {} {0.364079689802 0.39538047054 0.520426166878} H4 19 1
1 {} {0.354749559169 0.418344040888 0.633414855146} H5 20 1
1 {} {0.403125849063 0.447394000776 0.577157913231} H6 21 1
1 {} {0.490798396544 0.557826664287 0.411238586479} H7 22 1
1 {} {0.457480604918 0.49962631083 0.350999158901} H8 23 1
1 {} {0.459717346723 0.496383239351 0.469416273376} H9 24 1
1 {} {0.436875176416 0.661343248244 0.523593430108} H10 25 1
1 {} {0.438688071258 0.647285945382 0.301753440335} H11 26 1
1 {} {0.224766276727 0.541632835239 0.634068337034} H12 27 1
1 {} {0.205031284395 0.522565552872 0.478387402845} H13 28 1
1 {} {0.162004976739 0.341255147121 0.687676206592} H14 29 1
1 {} {0.197917284495 0.437373997675 0.761321845594} H15 30 1
1 {} {0.272385376576 0.325571982014 0.548488828059} H16 31 1
1 {} {0.193307899798 0.293825164364 0.543959070414} H17 32 1
1 {} {0.254100089741 0.383617616471 0.382130235039} H18 33 1
1 {} {0.199206395146 0.370341786103 0.376045351949} H19 34 1
1 {} {0.127167771609 0.50888220047 0.695987535524} H20 35 1
1 {} {0.104678871439 0.455321692688 0.622533570975} H21 36 1
6 {} {0.587203445263 0.337302196011 0.309411576067} C4 37 1
14 {} {0.582520389606 0.370641963711 0.426501291015} Si6 38 1
14 {} {0.571212906305 0.248257869735 0.291533848359} Si7 39 1
8 {} {0.611271627685 0.321660330741 0.494440467612} O5 40 1
8 {} {0.604993578551 0.445812333544 0.431415895118} O6 41 1
6 {} {0.523315245702 0.378984446323 0.46317779301} C5 42 1
6 {} {0.510314676883 0.237599869332 0.267976188127} C6 43 1
8 {} {0.586487754234 0.20955849259 0.38577317219} O7 44 1
8 {} {0.600904916295 0.21136955917 0.211557586402} O8 45 1
14 {} {0.648735043767 0.490698192662 0.460084858862} Si8 46 1
7 {} {0.633199341379 0.571753315556 0.487153024466} N4 47 1
14 {} {0.639684560811 0.599482463032 0.597517134756} Si9 48 1
14 {} {0.6092878093 0.625407381612 0.408127889379} Si10 49 1
7 {} {0.620442381466 0.605931382755 0.298663633269} N5 50 1
7 {} {0.692548413767 0.619405281336 0.634145836462} N6 51 1
1 {} {0.567757519722 0.369087749555 0.263513685826} H22 52 1
1 {} {0.622524185497 0.342444940259 0.289780293723} H23 53 1
1 {} {0.609528018925 0.274540012507 0.476974084884} H24 54 1
1 {} {0.504385977872 0.411798273003 0.418226335698} H25 55 1
1 {} {0.521968135473 0.400804535722 0.530495447797} H26 56 1
1 {} {0.506466668402 0.330146325979 0.465594810544} H27 57 1
1 {} {0.501045486487 0.184465751816 0.263338181381} H28 58 1
1 {} {0.50102439226 0.261726267539 0.204603833626} H29 59 1
1 {} {0.489888169082 0.260433755775 0.320763254866} H30 60 1
1 {} {0.589260300106 0.161232371579 0.383465461489} H31 61 1
1 {} {0.587692079636 0.207243550719 0.152868687213} H32 62 1
1 {} {0.670768355059 0.461943271578 0.540741614555} H33 63 1
1 {} {0.680422613516 0.490314281183 0.38340703185} H34 64 1
1 {} {0.612175962395 0.661536822889 0.603979119562} H35 65 1
1 {} {0.62334008108 0.546394893199 0.659070608036} H36 66 1
1 {} {0.559534650184 0.624743849248 0.415715648876} H37 67 1
1 {} {0.626297421254 0.694245170526 0.42600848376} H38 68 1
1 {} {0.603934347299 0.567717161732 0.268304347891} H39 69 1
1 {} {0.652051179069 0.609707159846 0.274218452797} H40 70 1
1 {} {0.713838307343 0.582121108678 0.651640247066} H41 71 1
1 {} {0.709473271803 0.658318672504 0.606748143965} H42 72 1
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