iterations/neb0_image03_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_image03
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
WyckoffPosition int -1
@end
@data
6 {} {0.352960816937 0.550271169024 0.422144700441} C1 1 1
14 {} {0.333875019322 0.51723659984 0.533229895807} Si1 2 1
14 {} {0.408175138227 0.592411139216 0.417979466728} Si2 3 1
8 {} {0.337159962869 0.577540444173 0.608480232019} O1 4 1
8 {} {0.281023991713 0.495298775142 0.525265482522} O2 5 1
6 {} {0.365553479349 0.441294695196 0.568618274985} C2 6 1
6 {} {0.457255958163 0.534805799362 0.411707797395} C3 7 1
8 {} {0.409799173985 0.636789072581 0.513061448306} O3 8 1
8 {} {0.40850991108 0.643292441458 0.330184444633} O4 9 1
14 {} {0.228646905486 0.500856668514 0.555914540214} Si3 10 1
7 {} {0.209018229164 0.422166009324 0.58732145718} N1 11 1
14 {} {0.17297349346 0.417842825968 0.679115976115} Si4 12 1
14 {} {0.224602590977 0.352179156752 0.523356542717} Si5 13 1
7 {} {0.225835834774 0.364538030555 0.409770043782} N2 14 1
7 {} {0.125467233219 0.466161568866 0.672001355068} N3 15 1
1 {} {0.352500861289 0.509830500609 0.372126400808} H1 16 1
1 {} {0.328017035998 0.587426465649 0.400162448558} H2 17 1
1 {} {0.360937014098 0.609669754543 0.595425346499} H3 18 1
1 {} {0.362223460198 0.400296697211 0.520112897177} H4 19 1
1 {} {0.352872142106 0.423238119182 0.633112800584} H5 20 1
1 {} {0.401258792618 0.452270601143 0.57690180238} H6 21 1
1 {} {0.489040140402 0.562434828571 0.410930671402} H7 22 1
1 {} {0.45583015705 0.504196018237 0.350724639576} H8 23 1
1 {} {0.458217429178 0.500639157692 0.469120425235} H9 24 1
1 {} {0.435039721461 0.666112274546 0.523356492442} H10 25 1
1 {} {0.436852753744 0.652084106921 0.301412437582} H11 26 1
1 {} {0.222877499649 0.546536914121 0.633895902754} H12 27 1
1 {} {0.203140224885 0.527438765955 0.478179179016} H13 28 1
1 {} {0.160086749555 0.346109929839 0.687304860067} H14 29 1
1 {} {0.196013383383 0.442155687356 0.761071807372} H15 30 1
1 {} {0.27054203566 0.330462961279 0.54828624412} H16 31 1
1 {} {0.191482179454 0.298736029013 0.543663203226} H17 32 1
1 {} {0.252266416855 0.388523679042 0.381829685407} H18 33 1
1 {} {0.197359750969 0.375190590116 0.375767865279} H19 34 1
1 {} {0.125274770502 0.513738084207 0.695763266902} H20 35 1
1 {} {0.102797682995 0.460207950217 0.622220313193} H21 36 1
6 {} {0.589017979442 0.332405209711 0.309719533616} C4 37 1
14 {} {0.584219602538 0.365895937739 0.426712707878} Si6 38 1
14 {} {0.573061135274 0.243294248722 0.29176281394} Si7 39 1
8 {} {0.612871975047 0.316893128805 0.494713078275} O5 40 1
8 {} {0.606892253404 0.441045661567 0.431696568725} O6 41 1
6 {} {0.524988061636 0.374647799461 0.463302910081} C5 42 1
6 {} {0.512164632709 0.232708823013 0.268162477242} C6 43 1
8 {} {0.588325527196 0.204680296498 0.386067387067} O7 44 1
8 {} {0.602767527286 0.206308771704 0.211921077834} O8 45 1
14 {} {0.650632846864 0.485800420259 0.460443439957} Si8 46 1
7 {} {0.635050389445 0.566919781369 0.487078754271} N4 47 1
14 {} {0.641588132157 0.594596112447 0.59795582813} Si9 48 1
14 {} {0.611177535952 0.620585645521 0.40852522275} Si10 49 1
7 {} {0.62227188472 0.601466250778 0.29825463503} N5 50 1
7 {} {0.694299276962 0.614255989379 0.633908319866} N6 51 1
1 {} {0.569596459795 0.364161089554 0.263757937858} H22 52 1
1 {} {0.624340210238 0.337537034885 0.290117663068} H23 53 1
1 {} {0.611312253188 0.269754598192 0.477228273894} H24 54 1
1 {} {0.505881763266 0.407609442345 0.418777100523} H25 55 1
1 {} {0.523764354506 0.396139057695 0.530837990271} H26 56 1
1 {} {0.50819668709 0.325748302037 0.465700835834} H27 57 1
1 {} {0.50282747925 0.179593499981 0.263508557646} H28 58 1
1 {} {0.502927083248 0.256876441924 0.20479293419} H29 59 1
1 {} {0.491740129418 0.255620627213 0.320891444458} H30 60 1
1 {} {0.591009060452 0.156330624748 0.383820560715} H31 61 1
1 {} {0.589570972868 0.202299998524 0.15318119609} H32 62 1
1 {} {0.672618399574 0.457038742042 0.540989855447} H33 63 1
1 {} {0.682339099213 0.485427595266 0.383708576606} H34 64 1
1 {} {0.614071546614 0.656725675863 0.604514668397} H35 65 1
1 {} {0.625221497752 0.541543595452 0.659723562259} H36 66 1
1 {} {0.56150806117 0.619679978508 0.416093408727} H37 67 1
1 {} {0.628167826718 0.689355278137 0.426586575537} H38 68 1
1 {} {0.605939935651 0.56277183444 0.268799495698} H39 69 1
1 {} {0.65392851829 0.604852702937 0.274523034995} H40 70 1
1 {} {0.715735243013 0.577171699913 0.651925010001} H41 71 1
1 {} {0.711318680611 0.653400923285 0.606862518487} H42 72 1
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