iterations/neb0_image02_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_image02
@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 {} {0.351090210437 0.555080425203 0.421932307642} C1 1 1
14 {} {0.332020651099 0.522021191689 0.532981465326} Si1 2 1
14 {} {0.40630996742 0.597224706034 0.417733736182} Si2 3 1
8 {} {0.335346976591 0.582269583427 0.608257500125} O1 4 1
8 {} {0.279102799421 0.500005422518 0.524978568229} O2 5 1
6 {} {0.363684561072 0.446061649779 0.568373898681} C2 6 1
6 {} {0.455407577094 0.539636229221 0.411448088999} C3 7 1
8 {} {0.407930535011 0.641653720869 0.512807454326} O3 8 1
8 {} {0.40665538452 0.648170659178 0.329978219466} O4 9 1
14 {} {0.226794775413 0.505638880343 0.555570421065} Si3 10 1
7 {} {0.207150898446 0.4269633397 0.587005633241} N1 11 1
14 {} {0.171144078587 0.422701030499 0.678929496313} Si4 12 1
14 {} {0.222766541428 0.356956607908 0.522967259788} Si5 13 1
7 {} {0.223983240147 0.369232443576 0.409346971974} N2 14 1
7 {} {0.123605129947 0.470972490909 0.671831016403} N3 15 1
1 {} {0.350659849592 0.514644791752 0.371901115253} H1 16 1
1 {} {0.326145234963 0.59220344168 0.399893900095} H2 17 1
1 {} {0.359092076074 0.614443055739 0.595108545645} H3 18 1
1 {} {0.36036820459 0.405065519115 0.519883639986} H4 19 1
1 {} {0.351037036849 0.42800183356 0.63289107499} H5 20 1
1 {} {0.399393539024 0.457090980936 0.576626335065} H6 21 1
1 {} {0.48719341458 0.567283440215 0.410687457062} H7 22 1
1 {} {0.453995552361 0.509037623591 0.350476829818} H8 23 1
1 {} {0.45638134317 0.50546223023 0.468875259092} H9 24 1
1 {} {0.433161904972 0.671003698339 0.523061728359} H10 25 1
1 {} {0.434986120458 0.656859659752 0.301121734991} H11 26 1
1 {} {0.22103958965 0.551347941972 0.63356472743} H12 27 1
1 {} {0.20130177832 0.532279822253 0.477845517594} H13 28 1
1 {} {0.158284573629 0.350980702818 0.68712634728} H14 29 1
1 {} {0.194210926101 0.447081379532 0.760777369146} H15 30 1
1 {} {0.268695992307 0.33528987719 0.54792339209} H16 31 1
1 {} {0.18963421836 0.303557979949 0.543373593442} H17 32 1
1 {} {0.250395722081 0.393327227524 0.381495487739} H18 33 1
1 {} {0.195496765969 0.380052502334 0.375462488786} H19 34 1
1 {} {0.123451747259 0.518598356782 0.69545021068} H20 35 1
1 {} {0.100964264616 0.465035122643 0.622003998549} H21 36 1
6 {} {0.590856544575 0.32761590797 0.309992799477} C4 37 1
14 {} {0.586082832844 0.361081327018 0.426992956806} Si6 38 1
14 {} {0.574920687453 0.23856446276 0.292005628014} Si7 39 1
8 {} {0.614691360153 0.312006595129 0.495033986824} O5 40 1
8 {} {0.608745823351 0.436094516461 0.432021885927} O6 41 1
6 {} {0.526824051119 0.369874683688 0.463582569389} C5 42 1
6 {} {0.514026968202 0.227838320244 0.26843046616} C6 43 1
8 {} {0.590149738341 0.199873627185 0.386302147872} O7 44 1
8 {} {0.604697562785 0.201717410669 0.212096891488} O8 45 1
14 {} {0.652461074039 0.481002960191 0.460671103432} Si8 46 1
7 {} {0.63696451652 0.562076828384 0.487674252641} N4 47 1
14 {} {0.643386658974 0.589749662967 0.598055525261} Si9 48 1
14 {} {0.612990829537 0.615732505107 0.408649024221} Si10 49 1
7 {} {0.624164260404 0.596327488779 0.299084344167} N5 50 1
7 {} {0.696244690048 0.609637258614 0.634571296633} N6 51 1
1 {} {0.57144963557 0.359399592064 0.264036257953} H22 52 1
1 {} {0.626193429327 0.332746546756 0.290407964269} H23 53 1
1 {} {0.613179341215 0.264876670133 0.477460043487} H24 54 1
1 {} {0.50772623192 0.402868702479 0.419004317367} H25 55 1
1 {} {0.525592685153 0.391331646714 0.531109764143} H26 56 1
1 {} {0.510021555279 0.320981929849 0.465897752524} H27 57 1
1 {} {0.504745629131 0.174713364434 0.263828637471} H28 58 1
1 {} {0.504718554552 0.252003034541 0.20510229385} H29 59 1
1 {} {0.493620748782 0.250695315476 0.321235864962} H30 60 1
1 {} {0.592968765786 0.151544083156 0.383985787839} H31 61 1
1 {} {0.591431829027 0.197530335494 0.153436205895} H32 62 1
1 {} {0.674492132879 0.452241160628 0.541318118857} H33 63 1
1 {} {0.684135462088 0.480611456079 0.383964326512} H34 64 1
1 {} {0.615909829732 0.651845685937 0.604611029714} H35 65 1
1 {} {0.627063689019 0.536696444549 0.65972213976} H36 66 1
1 {} {0.563279149846 0.615024806169 0.416320371273} H37 67 1
1 {} {0.630032948933 0.684540889466 0.426609214509} H38 68 1
1 {} {0.607650180499 0.558023376178 0.268921484151} H39 69 1
1 {} {0.655762719058 0.599992594262 0.274784657828} H40 70 1
1 {} {0.717572879333 0.572401164965 0.65221319177} H41 71 1
1 {} {0.713193791058 0.648628405547 0.607259202476} H42 72 1
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