iterations/neb0_image02_iter18.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 {} {0.351089251224 0.555076444759 0.421941270006} C1 1 1
14 {} {0.332033886335 0.522046123303 0.532985519626} Si1 2 1
14 {} {0.406322547132 0.597221886226 0.417718279163} Si2 3 1
8 {} {0.335328673222 0.582272136104 0.608238666279} O1 4 1
8 {} {0.279091714865 0.500017458748 0.524985383612} O2 5 1
6 {} {0.363692845315 0.446083774515 0.568365099421} C2 6 1
6 {} {0.455416962247 0.539622316127 0.411442242098} C3 7 1
8 {} {0.407931255684 0.641632170219 0.512790922354} O3 8 1
8 {} {0.406641404868 0.648142747256 0.329971598067} O4 9 1
14 {} {0.226792175763 0.505661138666 0.555590868945} Si3 10 1
7 {} {0.207162696683 0.426946999051 0.587035643825} N1 11 1
14 {} {0.171140394061 0.422671848859 0.678928128053} Si4 12 1
14 {} {0.222775101474 0.356948239724 0.523007545593} Si5 13 1
7 {} {0.223977645922 0.369254105412 0.409378006766} N2 14 1
7 {} {0.123599320152 0.470962663777 0.671788384933} N3 15 1
1 {} {0.35065966119 0.514651301621 0.371885632631} H1 16 1
1 {} {0.32615605571 0.592218924479 0.399885888542} H2 17 1
1 {} {0.359109809812 0.614483194929 0.595120613911} H3 18 1
1 {} {0.360373232011 0.405086201482 0.519871190449} H4 19 1
1 {} {0.351035265432 0.428019851878 0.632874095285} H5 20 1
1 {} {0.399402377863 0.457090665523 0.576629077767} H6 21 1
1 {} {0.487193732949 0.567265788011 0.410676144279} H7 22 1
1 {} {0.453995472567 0.509030656498 0.350477570738} H8 23 1
1 {} {0.456384641461 0.505451976629 0.468867974397} H9 24 1
1 {} {0.433183478657 0.670985367069 0.523075062373} H10 25 1
1 {} {0.43501473769 0.656878549255 0.301110993519} H11 26 1
1 {} {0.221041754052 0.551349522207 0.633581980091} H12 27 1
1 {} {0.201305903528 0.532273880941 0.477870747606} H13 28 1
1 {} {0.158275621383 0.35098311836 0.687083325843} H14 29 1
1 {} {0.1941983868 0.447043745694 0.760794367422} H15 30 1
1 {} {0.26869434154 0.335290022485 0.547961561169} H16 31 1
1 {} {0.189640924635 0.303570268554 0.543382636236} H17 32 1
1 {} {0.250419799714 0.393341366828 0.381511243021} H18 33 1
1 {} {0.195501147719 0.380035980154 0.375478791482} H19 34 1
1 {} {0.123445910248 0.518598634498 0.695477763272} H20 35 1
1 {} {0.100959953726 0.465030148869 0.621980453956} H21 36 1
6 {} {0.590858638138 0.327610710377 0.309983437105} C4 37 1
14 {} {0.586077317829 0.361098332045 0.426982498304} Si6 38 1
14 {} {0.574912857868 0.238543843768 0.29202850894} Si7 39 1
8 {} {0.614702261703 0.311997946931 0.495025417535} O5 40 1
8 {} {0.608736709735 0.436100142517 0.431988170645} O6 41 1
6 {} {0.526828041314 0.36987358031 0.463591235509} C5 42 1
6 {} {0.514025912834 0.227855503049 0.268428188359} C6 43 1
8 {} {0.590154706272 0.199859166228 0.386302509048} O7 44 1
8 {} {0.604665333155 0.201644822682 0.212100971933} O8 45 1
14 {} {0.652456587374 0.480990267206 0.460672310528} Si8 46 1
7 {} {0.636973918049 0.562075401168 0.487743940255} N4 47 1
14 {} {0.6432551977 0.589683626971 0.598000451529} Si9 48 1
14 {} {0.613054584318 0.615707527718 0.408385848779} Si10 49 1
7 {} {0.624063802395 0.596463008335 0.299208452763} N5 50 1
7 {} {0.696372602734 0.609641659969 0.634484837346} N6 51 1
1 {} {0.571442070415 0.359381768809 0.264022631482} H22 52 1
1 {} {0.626193070159 0.33273526509 0.290399100838} H23 53 1
1 {} {0.613171757308 0.264925967278 0.477478956037} H24 54 1
1 {} {0.507714407907 0.402850956907 0.419011213588} H25 55 1
1 {} {0.525597780253 0.391327348346 0.53110627378} H26 56 1
1 {} {0.510030050368 0.320972235602 0.465917371486} H27 57 1
1 {} {0.50471681055 0.174740682418 0.263813740433} H28 58 1
1 {} {0.504736182176 0.252024281019 0.205089940686} H29 59 1
1 {} {0.493606772863 0.25073195772 0.321204550024} H30 60 1
1 {} {0.592926918479 0.151541089309 0.384028233118} H31 61 1
1 {} {0.591430642641 0.197517369834 0.153472801231} H32 62 1
1 {} {0.674479614535 0.452242237763 0.541297254152} H33 63 1
1 {} {0.684146604843 0.480613115903 0.383972030501} H34 64 1
1 {} {0.615931183979 0.651820658047 0.604665037927} H35 65 1
1 {} {0.627078575029 0.536761985748 0.659734931343} H36 66 1
1 {} {0.563244985599 0.614978914406 0.416331390432} H37 67 1
1 {} {0.630028104583 0.684569813253 0.426692103973} H38 68 1
1 {} {0.607724087156 0.558029233267 0.268987340916} H39 69 1
1 {} {0.655803073472 0.600004125559 0.274732774948} H40 70 1
1 {} {0.717548140629 0.572398110711 0.652199749975} H41 71 1
1 {} {0.713154582568 0.648574452206 0.607237425536} H42 72 1
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