iterations/neb0_image06_iter26.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 {} {0.358440810951 0.535715016809 0.422993226876} C1 1 1
14 {} {0.339535509651 0.502465355696 0.534104131615} Si1 2 1
14 {} {0.413209336605 0.579235714224 0.418225532593} Si2 3 1
8 {} {0.342850254802 0.56268580468 0.609347687972} O1 4 1
8 {} {0.286612420983 0.480314640644 0.526102898865} O2 5 1
6 {} {0.371191842204 0.426491333339 0.569428465229} C2 6 1
6 {} {0.462126424027 0.522362953377 0.411900889609} C3 7 1
8 {} {0.415163203181 0.622572203759 0.514211064739} O3 8 1
8 {} {0.413563823007 0.629985588374 0.330203963666} O4 9 1
14 {} {0.234341188123 0.486039722236 0.556642968992} Si3 10 1
7 {} {0.214653491506 0.407369882947 0.588135327122} N1 11 1
14 {} {0.178654595522 0.403070166434 0.680060707729} Si4 12 1
14 {} {0.230240169435 0.33735563067 0.524151805085} Si5 13 1
7 {} {0.231473782296 0.34960050478 0.410498592492} N2 14 1
7 {} {0.131114704204 0.451342283521 0.672909202434} N3 15 1
1 {} {0.358223700858 0.495213982529 0.372982079597} H1 16 1
1 {} {0.333321232888 0.572563279354 0.400913564362} H2 17 1
1 {} {0.366588095249 0.594877782467 0.596224606281} H3 18 1
1 {} {0.367857165943 0.385481674677 0.520960196051} H4 19 1
1 {} {0.358531262353 0.408435872804 0.633939297182} H5 20 1
1 {} {0.406905904713 0.437479499848 0.577700208193} H6 21 1
1 {} {0.494425398033 0.54876524146 0.411815001291} H7 22 1
1 {} {0.460547993552 0.490937632031 0.351579316355} H8 23 1
1 {} {0.462083410381 0.488995904147 0.470162784937} H9 24 1
1 {} {0.440662658045 0.651496186959 0.524177444636} H10 25 1
1 {} {0.442352567221 0.637535968091 0.302480962099} H11 26 1
1 {} {0.228562247045 0.531757932802 0.634629109129} H12 27 1
1 {} {0.208828654572 0.512670762154 0.478928165715} H13 28 1
1 {} {0.16579621228 0.33135434855 0.688218487278} H14 29 1
1 {} {0.201713842281 0.427469267012 0.761898831666} H15 30 1
1 {} {0.276176142192 0.315698397538 0.549046567381} H16 31 1
1 {} {0.197108952088 0.283968016425 0.54451145364} H17 32 1
1 {} {0.257880890852 0.373728226 0.382665708953} H18 33 1
1 {} {0.202988513956 0.360440927086 0.376600271478} H19 34 1
1 {} {0.130948866972 0.49896106328 0.696546619667} H20 35 1
1 {} {0.108472578852 0.44540526769 0.623078870934} H21 36 1
6 {} {0.583498441488 0.34709759996 0.308827413735} C4 37 1
14 {} {0.579282628946 0.379847500759 0.426372655374} Si6 38 1
14 {} {0.567420630418 0.258101346908 0.290851531942} Si7 39 1
8 {} {0.608372524072 0.331163256884 0.49406006987} O5 40 1
8 {} {0.601151754603 0.455527936854 0.430892940434} O6 41 1
6 {} {0.520278562226 0.38675246781 0.463454074334} C5 42 1
6 {} {0.506519421066 0.24748015624 0.267294291329} C6 43 1
8 {} {0.582526685112 0.219437064865 0.385229088298} O7 44 1
8 {} {0.597164457134 0.221271698123 0.21096362005} O8 45 1
14 {} {0.644944274328 0.500536773864 0.459601165594} Si8 46 1
7 {} {0.629360981184 0.58159145214 0.486578610556} N4 47 1
14 {} {0.635973072984 0.609378687846 0.596953006194} Si9 48 1
14 {} {0.605493583832 0.635319560743 0.40764554573} Si10 49 1
7 {} {0.616665751702 0.615834966367 0.298154421373} N5 50 1
7 {} {0.688795414988 0.629285713512 0.633612601026} N6 51 1
1 {} {0.56398265565 0.378997190729 0.263117774533} H22 52 1
1 {} {0.618781378928 0.352299489586 0.289026467223} H23 53 1
1 {} {0.605875035552 0.284084603296 0.476584957095} H24 54 1
1 {} {0.502038405111 0.418806482725 0.416690286899} H25 55 1
1 {} {0.51844869837 0.409985719099 0.529838136836} H26 56 1
1 {} {0.503168758538 0.338144440609 0.466024192965} H27 57 1
1 {} {0.497248946518 0.194349893244 0.262734265855} H28 58 1
1 {} {0.497201929723 0.271605486489 0.203946633249} H29 59 1
1 {} {0.486137935389 0.270304627209 0.320158319026} H30 60 1
1 {} {0.585457740027 0.17111683086 0.382912621567} H31 61 1
1 {} {0.583915984667 0.217083074215 0.152279810666} H32 62 1
1 {} {0.666974199575 0.471815773605 0.540234918714} H33 63 1
1 {} {0.676619028985 0.500188054493 0.382931409652} H34 64 1
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1 {} {0.619568848936 0.556290929933 0.65845501333} H36 66 1
1 {} {0.555715800187 0.634595308698 0.415135118151} H37 67 1
1 {} {0.622482019493 0.704165599763 0.42545949347} H38 68 1
1 {} {0.600169848335 0.577577831582 0.267741569369} H39 69 1
1 {} {0.648239708502 0.619630410274 0.273688950936} H40 70 1
1 {} {0.710082804776 0.592004836595 0.651081455029} H41 71 1
1 {} {0.70571614247 0.668225989009 0.606195001223} H42 72 1
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