iterations/neb0_image05_iter10.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_image05
@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 {} {0.356651384255 0.540565571434 0.422739502044} C1 1 1
14 {} {0.337599747256 0.50754129913 0.533746918431} Si1 2 1
14 {} {0.411723094499 0.583062043945 0.418403102743} Si2 3 1
8 {} {0.34087036666 0.567807546541 0.608995475757} O1 4 1
8 {} {0.284627264878 0.485607394282 0.525816604552} O2 5 1
6 {} {0.369260755434 0.431586785414 0.569164080235} C2 6 1
6 {} {0.460638326865 0.525798455716 0.412103624513} C3 7 1
8 {} {0.413506560673 0.627058716509 0.513672562367} O3 8 1
8 {} {0.41215776159 0.633714224095 0.330579886426} O4 9 1
14 {} {0.232326087839 0.491190436651 0.556402480054} Si3 10 1
7 {} {0.21273057545 0.412434725344 0.587874896886} N1 11 1
14 {} {0.17669520422 0.408134824293 0.679749580912} Si4 12 1
14 {} {0.228331641899 0.34243347634 0.52386610528} Si5 13 1
7 {} {0.229526758224 0.354890839392 0.410304860599} N2 14 1
7 {} {0.129170459653 0.456472466755 0.672553999303} N3 15 1
1 {} {0.356215781395 0.500136481617 0.372685598583} H1 16 1
1 {} {0.331714846406 0.57768564566 0.400711351689} H2 17 1
1 {} {0.364652563732 0.599977863646 0.595952526729} H3 18 1
1 {} {0.365931156788 0.390582003791 0.52067383023} H4 19 1
1 {} {0.356586982408 0.413518398391 0.633661434142} H5 20 1
1 {} {0.404979061112 0.442555539124 0.577440374886} H6 21 1
1 {} {0.492669559315 0.552788420771 0.411563298381} H7 22 1
1 {} {0.459379491704 0.494797283933 0.351444420774} H8 23 1
1 {} {0.461607752113 0.491682952431 0.46946073238} H9 24 1
1 {} {0.438733977785 0.656423016494 0.523869047313} H10 25 1
1 {} {0.440561943675 0.642419472789 0.301998287405} H11 26 1
1 {} {0.226589386841 0.536831607338 0.634419262171} H12 27 1
1 {} {0.206847076496 0.517747767468 0.478683410934} H13 28 1
1 {} {0.163809802068 0.336419003292 0.687868368652} H14 29 1
1 {} {0.199738704949 0.432474154301 0.761616253204} H15 30 1
1 {} {0.27424193181 0.320758831345 0.548802675} H16 31 1
1 {} {0.195195771334 0.28904398477 0.544207274614} H17 32 1
1 {} {0.255980764512 0.378824810015 0.382358554381} H18 33 1
1 {} {0.20105303743 0.365503422277 0.376302326299} H19 34 1
1 {} {0.128996166724 0.504075434778 0.696308421168} H20 35 1
1 {} {0.106510222111 0.450490846921 0.622770272431} H21 36 1
6 {} {0.585304104073 0.342126659631 0.309203867733} C4 37 1
14 {} {0.580589469398 0.375541554256 0.426246053968} Si6 38 1
14 {} {0.569354934958 0.25306767615 0.291247205698} Si7 39 1
8 {} {0.609254001534 0.326561536352 0.494196598301} O5 40 1
8 {} {0.603134551928 0.450684854116 0.431111371729} O6 41 1
6 {} {0.521581956316 0.383706795102 0.46297576158} C5 42 1
6 {} {0.508460776262 0.242403404095 0.267638410914} C6 43 1
8 {} {0.584649327903 0.214390553125 0.38550470202} O7 44 1
8 {} {0.599080856993 0.216014785871 0.211373541835} O8 45 1
14 {} {0.646917015119 0.495521946673 0.459765391587} Si8 46 1
7 {} {0.631367832903 0.57652983748 0.486833868706} N4 47 1
14 {} {0.63792974198 0.604259050768 0.597211217299} Si9 48 1
14 {} {0.607501553828 0.630208046919 0.407978109321} Si10 49 1
7 {} {0.618532729141 0.611098840014 0.298135562666} N5 50 1
7 {} {0.690749680909 0.624040182518 0.633555612512} N6 51 1
1 {} {0.565889562894 0.373863880599 0.263197816848} H22 52 1
1 {} {0.620631643911 0.347236314239 0.289580416785} H23 53 1
1 {} {0.607612974075 0.279456601518 0.476687966461} H24 54 1
1 {} {0.502661794983 0.416396380079 0.418291031785} H25 55 1
1 {} {0.520092321485 0.40571929274 0.530088912519} H26 56 1
1 {} {0.504537572696 0.335143545999 0.465240143999} H27 57 1
1 {} {0.499141788148 0.189296683213 0.263000221683} H28 58 1
1 {} {0.499205670678 0.266549638549 0.204269639267} H29 59 1
1 {} {0.488038917709 0.265280678061 0.32039300091} H30 60 1
1 {} {0.587332886632 0.1660471454 0.383266746202} H31 61 1
1 {} {0.585874825422 0.21200201541 0.15265164884} H32 62 1
1 {} {0.668923885708 0.466756955419 0.540483608394} H33 63 1
1 {} {0.678617339645 0.495136559775 0.383159104918} H34 64 1
1 {} {0.610355631387 0.666337779313 0.603886749742} H35 65 1
1 {} {0.621508886395 0.551269627109 0.658957890635} H36 66 1
1 {} {0.55772133717 0.629428402623 0.415476046221} H37 67 1
1 {} {0.624449741686 0.699096690541 0.425916445276} H38 68 1
1 {} {0.602204821119 0.57244231247 0.268123170409} H39 69 1
1 {} {0.650256903422 0.614531530411 0.273878711418} H40 70 1
1 {} {0.711990633127 0.586907284967 0.651371588952} H41 71 1
1 {} {0.707562321626 0.663035524908 0.606416761371} H42 72 1
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