iterations/neb0_image02_iter24.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 {} {0.351092405475 0.55507847765 0.42193709439} C1 1 1
14 {} {0.331993066115 0.521998403309 0.53297807936} Si1 2 1
14 {} {0.40630193058 0.597216972433 0.41773876584} Si2 3 1
8 {} {0.335365006625 0.582290627267 0.608260476024} O1 4 1
8 {} {0.279137016182 0.500004514917 0.524965057589} O2 5 1
6 {} {0.363685487971 0.446061471774 0.568373864915} C2 6 1
6 {} {0.455410619984 0.539636486256 0.411448169924} C3 7 1
8 {} {0.407940087636 0.641665359185 0.512812111472} O3 8 1
8 {} {0.406673374189 0.648185405913 0.329951981834} O4 9 1
14 {} {0.226765117256 0.505624227085 0.555586880128} Si3 10 1
7 {} {0.207152958049 0.426954574282 0.587009954656} N1 11 1
14 {} {0.171144345084 0.422706293572 0.678917692739} Si4 12 1
14 {} {0.222762495657 0.356965141095 0.522961921867} Si5 13 1
7 {} {0.223995694544 0.369222024924 0.409336115093} N2 14 1
7 {} {0.123606368398 0.470978236709 0.671854947371} N3 15 1
1 {} {0.350659566907 0.514646581067 0.371904952162} H1 16 1
1 {} {0.326143258806 0.592202373891 0.399890984772} H2 17 1
1 {} {0.359081199209 0.614428312422 0.595114383471} H3 18 1
1 {} {0.360367426405 0.40506580981 0.519886482203} H4 19 1
1 {} {0.351037435517 0.427999365122 0.632892629425} H5 20 1
1 {} {0.399392710639 0.457090318166 0.576626516779} H6 21 1
1 {} {0.487192560277 0.567281994888 0.410689014876} H7 22 1
1 {} {0.453995780425 0.509039174856 0.350480503147} H8 23 1
1 {} {0.456381980227 0.50546280519 0.468874252056} H9 24 1
1 {} {0.433153291338 0.670997875383 0.523059294001} H10 25 1
1 {} {0.434969115899 0.656853637742 0.301137285127} H11 26 1
1 {} {0.221042201478 0.551349296663 0.633559825598} H12 27 1
1 {} {0.201304409899 0.532283944988 0.477841794192} H13 28 1
1 {} {0.158288059538 0.350986106529 0.687127488453} H14 29 1
1 {} {0.194212670935 0.447085884344 0.760785084776} H15 30 1
1 {} {0.268698034674 0.335287666611 0.547920429926} H16 31 1
1 {} {0.189635287968 0.303559518844 0.543375611454} H17 32 1
1 {} {0.250392884036 0.393325289901 0.381497432542} H18 33 1
1 {} {0.19548829002 0.380056931036 0.375455927553} H19 34 1
1 {} {0.123452898304 0.518595666797 0.695446441425} H20 35 1
1 {} {0.100960481522 0.465033391818 0.621993882598} H21 36 1
6 {} {0.590859497114 0.327627207568 0.309989812377} C4 37 1
14 {} {0.586075794868 0.361046890599 0.427007161047} Si6 38 1
14 {} {0.574921139287 0.238552276777 0.29200131341} Si7 39 1
8 {} {0.614690344113 0.312034453886 0.495038910419} O5 40 1
8 {} {0.608759236198 0.436115413303 0.432016022329} O6 41 1
6 {} {0.526826353659 0.369880070224 0.463578792905} C5 42 1
6 {} {0.514030066177 0.227840237782 0.268432780599} C6 43 1
8 {} {0.590144967313 0.199881401105 0.38629277147} O7 44 1
8 {} {0.604703656479 0.20173421325 0.212127511611} O8 45 1
14 {} {0.652460732809 0.48096636173 0.460702507229} Si8 46 1
7 {} {0.636943712658 0.562072595712 0.487564410939} N4 47 1
14 {} {0.64348573428 0.589806090604 0.5981608229} Si9 48 1
14 {} {0.612966672692 0.615748592677 0.408850882324} Si10 49 1
7 {} {0.624273732856 0.596246974535 0.29891600188} N5 50 1
7 {} {0.696099313408 0.609603743869 0.634601769339} N6 51 1
1 {} {0.571448763446 0.359400859669 0.264032366298} H22 52 1
1 {} {0.626194382257 0.332746048615 0.290408041516} H23 53 1
1 {} {0.613179995289 0.264855059527 0.47745009909} H24 54 1
1 {} {0.507725288441 0.402868957669 0.419004373735} H25 55 1
1 {} {0.525591946815 0.391332273026 0.53111123891} H26 56 1
1 {} {0.510022745995 0.320985891997 0.46589320814} H27 57 1
1 {} {0.504748389503 0.174712514222 0.263832511176} H28 58 1
1 {} {0.504716334623 0.252001285815 0.205104466067} H29 59 1
1 {} {0.493622248795 0.250690079139 0.321236602186} H30 60 1
1 {} {0.592973462719 0.15154273381 0.383983484157} H31 61 1
1 {} {0.591426394801 0.197530967636 0.153411470325} H32 62 1
1 {} {0.674490087986 0.452247286569 0.541307262426} H33 63 1
1 {} {0.684130150937 0.480617076105 0.383956995883} H34 64 1
1 {} {0.615906111707 0.651828999161 0.604591071284} H35 65 1
1 {} {0.627059065903 0.536699678277 0.659678210867} H36 66 1
1 {} {0.563268272602 0.615035086962 0.416305660268} H37 67 1
1 {} {0.630034832524 0.684540532098 0.426574497591} H38 68 1
1 {} {0.60765662524 0.558071749307 0.268943994892} H39 69 1
1 {} {0.655671742512 0.59998928378 0.274849879489} H40 70 1
1 {} {0.717611671486 0.572341567339 0.652236299149} H41 71 1
1 {} {0.713236983161 0.648711712297 0.607199761057} H42 72 1
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