./iterations/neb0_image05_iter27.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 {} {0.356609245136 0.540555961337 0.422718428654} C1 1 1
14 {} {0.337633007375 0.507441538857 0.533786208587} Si1 2 1
14 {} {0.411596751367 0.583392994691 0.418231361812} Si2 3 1
8 {} {0.340911345306 0.567701847241 0.609039861458} O1 4 1
8 {} {0.284663025273 0.48552984887 0.525795481121} O2 5 1
6 {} {0.369286601696 0.431459955359 0.569166099695} C2 6 1
6 {} {0.460586270927 0.526138049841 0.411969576649} C3 7 1
8 {} {0.413410269382 0.62722259784 0.513796196417} O3 8 1
8 {} {0.411966220564 0.634155262136 0.330322193358} O4 9 1
14 {} {0.232362765674 0.491064732619 0.556383355493} Si3 10 1
7 {} {0.212765425305 0.412329410746 0.587889682946} N1 11 1
14 {} {0.176750187601 0.408049030121 0.679785818228} Si4 12 1
14 {} {0.228366673203 0.342343595807 0.523885775588} Si5 13 1
7 {} {0.229553140323 0.354848317874 0.410318179383} N2 14 1
7 {} {0.129237683708 0.456379392454 0.672608413747} N3 15 1
1 {} {0.356306410693 0.500084040082 0.372706430986} H1 16 1
1 {} {0.331558009024 0.577515385789 0.400686794825} H2 17 1
1 {} {0.364693170078 0.599843706635 0.595946063736} H3 18 1
1 {} {0.365970558691 0.390436150131 0.520705782882} H4 19 1
1 {} {0.356641151131 0.413386018411 0.633682764125} H5 20 1
1 {} {0.405005735198 0.442432161828 0.577425455777} H6 21 1
1 {} {0.492615599628 0.553201117788 0.411545658022} H7 22 1
1 {} {0.459113241505 0.495128493857 0.351311643823} H8 23 1
1 {} {0.461102288159 0.492335215305 0.469769626403} H9 24 1
1 {} {0.438759107629 0.656394128671 0.523900166505} H10 25 1
1 {} {0.440532232844 0.64239962986 0.302085304356} H11 26 1
1 {} {0.226610401199 0.536726900443 0.634406254981} H12 27 1
1 {} {0.206864799246 0.517643060116 0.478644803921} H13 28 1
1 {} {0.163874027415 0.336332042322 0.68794906818} H14 29 1
1 {} {0.199810132657 0.432404654632 0.761634469316} H15 30 1
1 {} {0.274295488851 0.320623695934 0.548746569015} H16 31 1
1 {} {0.195240003742 0.288918646387 0.544204136897} H17 32 1
1 {} {0.256012883018 0.378725264872 0.382316818246} H18 33 1
1 {} {0.20107957715 0.365442299292 0.376281748323} H19 34 1
1 {} {0.129055612943 0.503994835466 0.696275448682} H20 35 1
1 {} {0.106571448013 0.450380253611 0.622841248591} H21 36 1
6 {} {0.585323980299 0.342194770466 0.309141215718} C4 37 1
14 {} {0.580805805032 0.375359040429 0.426370135975} Si6 38 1
14 {} {0.569327444671 0.253166200604 0.291216275024} Si7 39 1
8 {} {0.609663248058 0.326490027371 0.494249863638} O5 40 1
8 {} {0.603069859234 0.450713504443 0.431110935251} O6 41 1
6 {} {0.521674807633 0.383140898433 0.463188674485} C5 42 1
6 {} {0.508427542799 0.242498623917 0.267665940627} C6 43 1
8 {} {0.584626553132 0.214543958928 0.385501087278} O7 44 1
8 {} {0.599054126054 0.216153322339 0.211357289052} O8 45 1
14 {} {0.64686724203 0.495593190375 0.459747349593} Si8 46 1
7 {} {0.631328131313 0.576631789652 0.486816249499} N4 47 1
14 {} {0.637905057526 0.60436598861 0.597218086836} Si9 48 1
14 {} {0.607409599995 0.630276517487 0.407919379245} Si10 49 1
7 {} {0.618568775888 0.610900141129 0.298377579223} N5 50 1
7 {} {0.69072427186 0.624245929235 0.633887293185} N6 51 1
1 {} {0.56586232364 0.374012952851 0.263289284832} H22 52 1
1 {} {0.620633621076 0.347344825867 0.289461115495} H23 53 1
1 {} {0.607664538206 0.279382159634 0.476750237741} H24 54 1
1 {} {0.502985322373 0.415680568459 0.417649518173} H25 55 1
1 {} {0.520155384322 0.405463247755 0.530191944927} H26 56 1
1 {} {0.504747455728 0.334377223957 0.465672789193} H27 57 1
1 {} {0.499154722003 0.189373113597 0.263048556192} H28 58 1
1 {} {0.499128430961 0.266628150591 0.204304562298} H29 59 1
1 {} {0.488008502424 0.265337850064 0.32045771506} H30 60 1
1 {} {0.587357070416 0.166203347148 0.383211899674} H31 61 1
1 {} {0.585849071043 0.212120012691 0.152628320135} H32 62 1
1 {} {0.668888886482 0.466858923839 0.540430749281} H33 63 1
1 {} {0.678549597598 0.495228355452 0.383082254878} H34 64 1
1 {} {0.610326945632 0.666372571995 0.603658541758} H35 65 1
1 {} {0.621462137021 0.551295407304 0.658717158934} H36 66 1
1 {} {0.55764110073 0.629599717569 0.41542253206} H37 67 1
1 {} {0.624377418023 0.699139119551 0.425736649932} H38 68 1
1 {} {0.602074670064 0.572630479702 0.268009048374} H39 69 1
1 {} {0.650172558949 0.614637164622 0.273929427193} H40 70 1
1 {} {0.712012374427 0.58699830843 0.6513837002} H41 71 1
1 {} {0.707592885884 0.663208671503 0.60652005518} H42 72 1
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