iterations/neb0_image06_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_image06
@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 {} {0.358494754817 0.535792700474 0.422975276537} C1 1 1
14 {} {0.339395046299 0.502784164215 0.534027776456} Si1 2 1
14 {} {0.413691628911 0.57802054909 0.418733648822} Si2 3 1
8 {} {0.342695844108 0.563043114394 0.609271161766} O1 4 1
8 {} {0.286556348799 0.4807905554 0.52607690447} O2 5 1
6 {} {0.371086133298 0.426820174537 0.569416353488} C2 6 1
6 {} {0.462569481124 0.520757528428 0.412563485616} C3 7 1
8 {} {0.415326959982 0.62230164087 0.513870175591} O3 8 1
8 {} {0.414023029053 0.628831141073 0.330968667736} O4 9 1
14 {} {0.234176457445 0.48636447119 0.556704682068} Si3 10 1
7 {} {0.214550885821 0.407699662715 0.588123998715} N1 11 1
14 {} {0.178512728649 0.403362829416 0.679955684162} Si4 12 1
14 {} {0.230137774645 0.33770461784 0.524174912951} Si5 13 1
7 {} {0.231368392933 0.350023122791 0.410569702211} N2 14 1
7 {} {0.131001833233 0.451663580363 0.672802893551} N3 15 1
1 {} {0.358030941779 0.495356315903 0.372928981935} H1 16 1
1 {} {0.333552214365 0.57295368403 0.40096617532} H2 17 1
1 {} {0.366473633459 0.595199732464 0.596227826042} H3 18 1
1 {} {0.367755903627 0.385822048571 0.520917385308} H4 19 1
1 {} {0.358405161922 0.408763215663 0.633916159739} H5 20 1
1 {} {0.406792614099 0.437796473367 0.577707556338} H6 21 1
1 {} {0.494565491991 0.547953072471 0.411762386108} H7 22 1
1 {} {0.461309764359 0.48979538064 0.351517586273} H8 23 1
1 {} {0.463615808394 0.486509286834 0.469808696434} H9 24 1
1 {} {0.440577436568 0.651642780795 0.524152811838} H10 25 1
1 {} {0.442389337447 0.63762011116 0.302233140942} H11 26 1
1 {} {0.22841015058 0.532063027927 0.634699658314} H12 27 1
1 {} {0.208673526102 0.512964472582 0.478983453223} H13 28 1
1 {} {0.165620849018 0.331637150631 0.68810899297} H14 29 1
1 {} {0.20154680942 0.427682267877 0.761875794462} H15 30 1
1 {} {0.276076667714 0.315989778042 0.549091649113} H16 31 1
1 {} {0.197015608547 0.284263682658 0.544466990651} H17 32 1
1 {} {0.257798009459 0.374050963635 0.382633711682} H18 33 1
1 {} {0.202893892651 0.360716165223 0.376571598003} H19 34 1
1 {} {0.130806838276 0.499260018874 0.696566802419} H20 35 1
1 {} {0.108329844332 0.445736018228 0.623024364613} H21 36 1
6 {} {0.583482356561 0.346889216967 0.308904442247} C4 37 1
14 {} {0.578658088455 0.380294886426 0.425992944443} Si6 38 1
14 {} {0.567529662052 0.25777147423 0.290970369952} Si7 39 1
8 {} {0.607358315097 0.33136647835 0.493897139025} O5 40 1
8 {} {0.601363279237 0.455546791648 0.430878650893} O6 41 1
6 {} {0.519583574135 0.38885539439 0.462332508222} C5 42 1
6 {} {0.506630715733 0.247187025304 0.267345424807} C6 43 1
8 {} {0.582793786339 0.219149648878 0.385254444957} O7 44 1
8 {} {0.597244304099 0.220810523833 0.211116342417} O8 45 1
14 {} {0.64510503385 0.500262690768 0.459660187281} Si8 46 1
7 {} {0.62950122106 0.581397167067 0.48624856671} N4 47 1
14 {} {0.63608371448 0.60908165929 0.597185952159} Si9 48 1
14 {} {0.605672391889 0.63508856138 0.407737292699} Si10 49 1
7 {} {0.616729455985 0.615925238104 0.297454921228} N5 50 1
7 {} {0.688757882553 0.628740123246 0.63309511665} N6 51 1
1 {} {0.564062866764 0.378637182223 0.262944548765} H22 52 1
1 {} {0.618809249183 0.35201324724 0.289309604658} H23 53 1
1 {} {0.605780055758 0.284233092062 0.476425254304} H24 54 1
1 {} {0.500627741454 0.421561797655 0.418150096647} H25 55 1
1 {} {0.518241588253 0.410606886377 0.530035346184} H26 56 1
1 {} {0.502689499627 0.340168539119 0.464925419647} H27 57 1
1 {} {0.497293145035 0.194070086604 0.262703201083} H28 58 1
1 {} {0.497393156185 0.271349485403 0.203984453609} H29 59 1
1 {} {0.486208391715 0.270094120047 0.320090409404} H30 60 1
1 {} {0.58547615197 0.170801827408 0.383016112676} H31 61 1
1 {} {0.584036472247 0.216774226517 0.152375789839} H32 62 1
1 {} {0.667083463018 0.47151541312 0.540183604461} H33 63 1
1 {} {0.676804678876 0.499905767109 0.382903726228} H34 64 1
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1 {} {0.55596000225 0.634147648058 0.415283826846} H37 67 1
1 {} {0.622627222451 0.703827197946 0.425780726193} H38 68 1
1 {} {0.60041194593 0.577244899425 0.267987785342} H39 69 1
1 {} {0.648395644702 0.619329991128 0.273718297925} H40 70 1
1 {} {0.710199660242 0.591647367715 0.651118238152} H41 71 1
1 {} {0.705786429705 0.66787601519 0.606057159208} H42 72 1
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