./iterations/neb0_image02_iter16.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 {} {0.351094162684 0.555073555467 0.421931783183} C1 1 1
14 {} {0.33201313674 0.522039976622 0.532966392247} Si1 2 1
14 {} {0.40632420427 0.597213080305 0.417711145361} Si2 3 1
8 {} {0.335337073998 0.582317365979 0.608230167973} O1 4 1
8 {} {0.279136760622 0.500044128882 0.524983341232} O2 5 1
6 {} {0.363698793867 0.44609617471 0.568355820606} C2 6 1
6 {} {0.455418314511 0.539616662173 0.411438774167} C3 7 1
8 {} {0.407943939807 0.641634768229 0.512794698094} O3 8 1
8 {} {0.406662594891 0.648134276241 0.329934321582} O4 9 1
14 {} {0.226773247447 0.505667310956 0.555616172949} Si3 10 1
7 {} {0.20717023718 0.426952815705 0.587045361263} N1 11 1
14 {} {0.171136208968 0.422669396142 0.678910505506} Si4 12 1
14 {} {0.222773576897 0.356958672486 0.523022628321} Si5 13 1
7 {} {0.223990414082 0.369278544122 0.409417648062} N2 14 1
7 {} {0.123606941807 0.470968036617 0.671778922264} N3 15 1
1 {} {0.350659217534 0.514656534818 0.371879801329} H1 16 1
1 {} {0.326163511171 0.59222949101 0.399886263474} H2 17 1
1 {} {0.359098886049 0.61447927358 0.595140200788} H3 18 1
1 {} {0.360375761992 0.405097160898 0.519860246659} H4 19 1
1 {} {0.351032228868 0.428032847812 0.632865492823} H5 20 1
1 {} {0.399411714955 0.457090747116 0.576632289253} H6 21 1
1 {} {0.487197937746 0.567260661791 0.410668960426} H7 22 1
1 {} {0.453994399857 0.509023334311 0.350470002205} H8 23 1
1 {} {0.456385268266 0.505444536702 0.468868066364} H9 24 1
1 {} {0.433184779412 0.670960898151 0.523079098575} H10 25 1
1 {} {0.435003787929 0.656883067996 0.301132439562} H11 26 1
1 {} {0.221041300164 0.551349786962 0.63359191127} H12 27 1
1 {} {0.201307332516 0.532267556745 0.47789084218} H13 28 1
1 {} {0.158266574778 0.350970407491 0.68706247612} H14 29 1
1 {} {0.194188571604 0.447018354949 0.760801068862} H15 30 1
1 {} {0.268694553478 0.335288496235 0.547983185978} H16 31 1
1 {} {0.189643936517 0.303571830532 0.543387965573} H17 32 1
1 {} {0.250419462211 0.393339463339 0.38153428127} H18 33 1
1 {} {0.195503171496 0.38002685955 0.375485239499} H19 34 1
1 {} {0.123442210155 0.518581287681 0.695485526451} H20 35 1
1 {} {0.100954250654 0.46502665499 0.62195981221} H21 36 1
6 {} {0.590860130638 0.327608835257 0.309976160756} C4 37 1
14 {} {0.5860755956 0.361082792014 0.426977610749} Si6 38 1
14 {} {0.574913413867 0.238530440534 0.29203764071} Si7 39 1
8 {} {0.614703815477 0.312045123508 0.495018304773} O5 40 1
8 {} {0.608743620321 0.436139445531 0.431982514088} O6 41 1
6 {} {0.526829127915 0.369868147601 0.463586213649} C5 42 1
6 {} {0.514021142806 0.227866663332 0.268430168898} C6 43 1
8 {} {0.590161719022 0.199859269178 0.386304880392} O7 44 1
8 {} {0.604651573022 0.20159976557 0.212152819564} O8 45 1
14 {} {0.652448346818 0.480979403115 0.460656602636} Si8 46 1
7 {} {0.636962498223 0.562074173008 0.487699038322} N4 47 1
14 {} {0.64334461102 0.589713818089 0.598053681153} Si9 48 1
14 {} {0.613026604153 0.615745721567 0.408548646596} Si10 49 1
7 {} {0.624147976832 0.596485306522 0.298846512001} N5 50 1
7 {} {0.696188386268 0.609550427121 0.634386842603} N6 51 1
1 {} {0.571440556969 0.359365369748 0.264023918071} H22 52 1
1 {} {0.626187937099 0.332727177962 0.290396278104} H23 53 1
1 {} {0.61316506857 0.264915489716 0.477477767296} H24 54 1
1 {} {0.5077095369 0.402839184806 0.419018506135} H25 55 1
1 {} {0.525600444012 0.391326755528 0.531112517095} H26 56 1
1 {} {0.510033818758 0.32096223124 0.465933615172} H27 57 1
1 {} {0.50469788486 0.174754286956 0.263800604258} H28 58 1
1 {} {0.50474780709 0.25203774335 0.205078761188} H29 59 1
1 {} {0.493598386136 0.2507558913 0.321183701221} H30 60 1
1 {} {0.59289988782 0.15152719929 0.384053084167} H31 61 1
1 {} {0.591420793481 0.197503873453 0.15345132727} H32 62 1
1 {} {0.674474538245 0.452234998314 0.541293827001} H33 63 1
1 {} {0.684156566169 0.480612056229 0.383979464469} H34 64 1
1 {} {0.615926996247 0.65184322892 0.604709046584} H35 65 1
1 {} {0.627076063993 0.536764578884 0.659801792339} H36 66 1
1 {} {0.563266252207 0.614940250897 0.416339328474} H37 67 1
1 {} {0.630025711824 0.684571502172 0.426745571796} H38 68 1
1 {} {0.607766460044 0.558051550116 0.269055166221} H39 69 1
1 {} {0.655718778892 0.600007441699 0.274803290616} H40 70 1
1 {} {0.717597474136 0.572316991788 0.652227218949} H41 71 1
1 {} {0.713193977721 0.648655177449 0.607141030007} H42 72 1
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