./iterations/neb0_image07_iter41.sci output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
running
#MD System 2.0
@Title neb0_image07
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
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@data
6 {} {0.369064412708 0.576654884131 0.411996886038} C1 1 1
14 {} {0.346224867421 0.549911697528 0.522601758722} Si1 2 1
14 {} {0.430580149771 0.585034019992 0.407696326799} Si2 3 1
8 {} {0.359762257992 0.606532063669 0.598743538861} O1 4 1
8 {} {0.291380646945 0.548340652268 0.515530245405} O2 5 1
6 {} {0.36537400961 0.464601018648 0.557100411334} C2 6 1
6 {} {0.457817077402 0.501482266188 0.392944510409} C3 7 1
8 {} {0.444026758159 0.620402863605 0.506275582992} O3 8 1
8 {} {0.442482933001 0.637273696609 0.324639669162} O4 9 1
14 {} {0.241017703386 0.552854269208 0.556691607236} Si3 10 1
7 {} {0.221591014118 0.474735097438 0.590687792638} N1 11 1
14 {} {0.199171337318 0.466383444399 0.698077758074} Si4 12 1
14 {} {0.222085799172 0.407040516531 0.515519131826} Si5 13 1
7 {} {0.216020640707 0.428150547099 0.405058218227} N2 14 1
7 {} {0.148710426209 0.505277266062 0.718438757452} N3 15 1
1 {} {0.359427106738 0.540774580843 0.359495072347} H1 16 1
1 {} {0.35383198285 0.625276631258 0.394698362171} H2 17 1
1 {} {0.389612757293 0.624837461474 0.58844811559} H3 18 1
1 {} {0.356774218543 0.426037294474 0.507694367214} H4 19 1
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1 {} {0.447595369682 0.477317946614 0.330334808462} H8 23 1
1 {} {0.449967035289 0.466316550292 0.446993985953} H9 24 1
1 {} {0.474965293849 0.633633515675 0.512454565503} H10 25 1
1 {} {0.473487948958 0.635917886139 0.306445035464} H11 26 1
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1 {} {0.230718416322 0.495591823112 0.764157208804} H15 30 1
1 {} {0.265342625273 0.370353579269 0.521406041155} H16 31 1
1 {} {0.184456238314 0.36249911185 0.542179404821} H17 32 1
1 {} {0.243029270882 0.442875570821 0.369157217865} H18 33 1
1 {} {0.188053311317 0.451722371494 0.383032662839} H19 34 1
1 {} {0.147924946333 0.554901142247 0.733255758584} H20 35 1
1 {} {0.120707947187 0.491492275925 0.684806278014} H21 36 1
6 {} {0.623771067004 0.616622708975 0.351162674784} C4 37 1
14 {} {0.580445885355 0.55535719963 0.389174813632} Si6 38 1
14 {} {0.61690379308 0.705235733667 0.38756064324} Si7 39 1
8 {} {0.533399408948 0.599168126709 0.384350716658} O5 40 1
8 {} {0.578413669567 0.491191217945 0.321198190296} O6 41 1
6 {} {0.589557170146 0.521942790416 0.503616700416} C5 42 1
6 {} {0.633686982383 0.721806269206 0.505455211776} C6 43 1
8 {} {0.562179873016 0.721553513017 0.376429043653} O7 44 1
8 {} {0.64363302699 0.755215474686 0.317261551033} O8 45 1
14 {} {0.572234860623 0.429790847373 0.249628894657} Si8 46 1
7 {} {0.584626182035 0.351364018757 0.292349223091} N4 47 1
14 {} {0.541048176151 0.294718422937 0.315286471685} Si9 48 1
14 {} {0.639182941849 0.325547660112 0.316997495851} Si10 49 1
7 {} {0.680230622219 0.371643439614 0.265757106401} N5 50 1
7 {} {0.517270508597 0.251466083038 0.228124398863} N6 51 1
1 {} {0.657771016296 0.600004957541 0.367585574526} H22 52 1
1 {} {0.621795132631 0.617104973288 0.277684578747} H23 53 1
1 {} {0.539405687876 0.648140459149 0.379822798671} H24 54 1
1 {} {0.62117958359 0.494506794812 0.508522269121} H25 55 1
1 {} {0.562814962144 0.487033350917 0.522119769986} H26 56 1
1 {} {0.590059456604 0.562114698496 0.553587559333} H27 57 1
1 {} {0.628173332829 0.774554341292 0.523546358967} H28 58 1
1 {} {0.669199541814 0.710264523047 0.515160432996} H29 59 1
1 {} {0.614427936723 0.691067939111 0.552696482367} H30 60 1
1 {} {0.550267908968 0.766615343816 0.373057651567} H31 61 1
1 {} {0.661360068945 0.790921758119 0.342811960568} H32 62 1
1 {} {0.524685103799 0.427201730021 0.220660104205} H33 63 1
1 {} {0.60134979655 0.444996153014 0.171723395462} H34 64 1
1 {} {0.560926491854 0.243834153757 0.376423099645} H35 65 1
1 {} {0.504163495553 0.332504647751 0.358485336893} H36 66 1
1 {} {0.648562215671 0.33151320492 0.414506567459} H37 67 1
1 {} {0.643054200387 0.254104856338 0.288812021894} H38 68 1
1 {} {0.69367559682 0.412324120889 0.296176492653} H39 69 1
1 {} {0.683247072283 0.374591463098 0.198448271622} H40 70 1
1 {} {0.494838740072 0.274359353547 0.187469386367} H41 71 1
1 {} {0.534607325398 0.215815215789 0.194511772297} H42 72 1
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