iterations/neb0_image06_iter6.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
WyckoffPosition int -1
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@data
6 {} {0.358499190599 0.53575817846 0.422994808571} C1 1 1
14 {} {0.339442368751 0.502764353903 0.534024510877} Si1 2 1
14 {} {0.413606888419 0.578183128404 0.41869913915} Si2 3 1
8 {} {0.342712644848 0.562997131443 0.6092754961} O1 4 1
8 {} {0.28649920771 0.48071861757 0.526094212655} O2 5 1
6 {} {0.371090677648 0.426789147896 0.569419037761} C2 6 1
6 {} {0.462477397845 0.520995465899 0.412364078097} C3 7 1
8 {} {0.415342784798 0.622278637798 0.513914398784} O3 8 1
8 {} {0.414008869511 0.628879761551 0.330893824064} O4 9 1
14 {} {0.234223189276 0.486354289576 0.556673438538} Si3 10 1
7 {} {0.214561669564 0.407655894034 0.588131261985} N1 11 1
14 {} {0.178529442253 0.403320711657 0.679990684792} Si4 12 1
14 {} {0.230156709025 0.337647479411 0.524179824133} Si5 13 1
7 {} {0.231378073774 0.349980783777 0.410552149575} N2 14 1
7 {} {0.131008386824 0.451633744424 0.672804775946} N3 15 1
1 {} {0.358044194088 0.495328538947 0.372936591239} H1 16 1
1 {} {0.333566084418 0.572907159694 0.400969589606} H2 17 1
1 {} {0.366488995682 0.595168506035 0.596222812511} H3 18 1
1 {} {0.367767178842 0.385785403575 0.520923451765} H4 19 1
1 {} {0.358420387391 0.408724236868 0.633920778746} H5 20 1
1 {} {0.406808491907 0.437762922345 0.577709818993} H6 21 1
1 {} {0.494528030135 0.547941703803 0.411805278735} H7 22 1
1 {} {0.46123843788 0.489978946012 0.351695770493} H8 23 1
1 {} {0.463445587547 0.486878790629 0.46974020782} H9 24 1
1 {} {0.440580683014 0.651609061899 0.524140758107} H10 25 1
1 {} {0.442394929217 0.637601585226 0.302264164562} H11 26 1
1 {} {0.228426337555 0.532024191355 0.634688951376} H12 27 1
1 {} {0.208691396072 0.512930287703 0.478982939843} H13 28 1
1 {} {0.16564066507 0.331614825173 0.688114686978} H14 29 1
1 {} {0.201564822337 0.427657616446 0.761873354572} H15 30 1
1 {} {0.276081323418 0.315963546696 0.549086105789} H16 31 1
1 {} {0.197028421862 0.284238734607 0.544469639339} H17 32 1
1 {} {0.257807404046 0.374015351726 0.382637195991} H18 33 1
1 {} {0.202906163905 0.360685741547 0.376576113463} H19 34 1
1 {} {0.130822462169 0.499227073968 0.696566388127} H20 35 1
1 {} {0.108345010054 0.445700482589 0.623031047201} H21 36 1
6 {} {0.583465946232 0.346911293648 0.308911797942} C4 37 1
14 {} {0.578736565814 0.380344695021 0.42598026077} Si6 38 1
14 {} {0.567518937617 0.257836599143 0.290960744702} Si7 39 1
8 {} {0.607397921969 0.331361828904 0.493930858498} O5 40 1
8 {} {0.601297962991 0.455473842364 0.430863521236} O6 41 1
6 {} {0.519766697732 0.388539833728 0.462721512653} C5 42 1
6 {} {0.50661858559 0.247208872111 0.267345389663} C6 43 1
8 {} {0.582761725236 0.219170467006 0.385247707276} O7 44 1
8 {} {0.597231163775 0.220854924393 0.211077380905} O8 45 1
14 {} {0.645084825113 0.500327692979 0.459578521661} Si8 46 1
7 {} {0.629533787923 0.581392953031 0.486582071749} N4 47 1
14 {} {0.635949384583 0.609039600977 0.596942214165} Si9 48 1
14 {} {0.605673335024 0.635092171133 0.407443979137} Si10 49 1
7 {} {0.616661120444 0.616008131423 0.297794628416} N5 50 1
7 {} {0.68892200803 0.628844730498 0.633177662016} N6 51 1
1 {} {0.564050123714 0.378675576609 0.2629319698} H22 52 1
1 {} {0.618798284423 0.352050651084 0.28930884884} H23 53 1
1 {} {0.605774040976 0.28426233571 0.47642584451} H24 54 1
1 {} {0.500827699276 0.421189279949 0.418031168561} H25 55 1
1 {} {0.518256848081 0.410541041661 0.529815518503} H26 56 1
1 {} {0.502696005828 0.340024234387 0.464961015738} H27 57 1
1 {} {0.497286229012 0.19410650683 0.262708237934} H28 58 1
1 {} {0.497374823827 0.271376834289 0.203977255428} H29 59 1
1 {} {0.486201989379 0.270114281962 0.320098809434} H30 60 1
1 {} {0.585474431716 0.170837770813 0.383010800083} H31 61 1
1 {} {0.584028521402 0.216809429617 0.152386583294} H32 62 1
1 {} {0.667083122543 0.471546182179 0.54023205173} H33 63 1
1 {} {0.676787882011 0.499937094857 0.382920125227} H34 64 1
1 {} {0.608530817649 0.671203162246 0.603684227625} H35 65 1
1 {} {0.619681515088 0.55607345447 0.658840636006} H36 66 1
1 {} {0.5559116945 0.634199716923 0.41526787927} H37 67 1
1 {} {0.622616941684 0.703901340426 0.425758361502} H38 68 1
1 {} {0.600385949461 0.577236756009 0.267924287042} H39 69 1
1 {} {0.648416273409 0.619351905126 0.273665188918} H40 70 1
1 {} {0.710153137608 0.591719705666 0.651103018042} H41 71 1
1 {} {0.705741164431 0.667859393587 0.606108945415} H42 72 1
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