./neb0_image06_initial.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_image06
@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 {} {0.358470804709 0.53581938656 0.422960678921} C1 1 1
14 {} {0.339434319564 0.502816835126 0.53401668582} Si1 2 1
14 {} {0.41371248357 0.577936357912 0.418775583979} Si2 3 1
8 {} {0.342673516825 0.563089029619 0.609282476054} O1 4 1
8 {} {0.286513288665 0.48082820644 0.52608140802} O2 5 1
6 {} {0.371068231188 0.426851429586 0.569411043186} C2 6 1
6 {} {0.462783374803 0.520336318728 0.412499864894} C3 7 1
8 {} {0.415310016713 0.622358313539 0.513871660034} O3 8 1
8 {} {0.414032988217 0.628824812471 0.330988924452} O4 9 1
14 {} {0.234184064123 0.486442740272 0.556689493603} Si3 10 1
7 {} {0.214533504713 0.407721533236 0.588122600725} N1 11 1
14 {} {0.178497210265 0.403366070829 0.679967218523} Si4 12 1
14 {} {0.230138612246 0.337709797626 0.524187709872} Si5 13 1
7 {} {0.231356834741 0.350075962454 0.41057048302} N2 14 1
7 {} {0.130990783547 0.451701346984 0.672785716131} N3 15 1
1 {} {0.358022613073 0.495386755882 0.372927101169} H1 16 1
1 {} {0.333538496076 0.572991987822 0.400961879508} H2 17 1
1 {} {0.366460663076 0.595221670993 0.596226074679} H3 18 1
1 {} {0.367747626152 0.3858534115 0.520912939404} H4 19 1
1 {} {0.358393731687 0.408794615226 0.63391493101} H5 20 1
1 {} {0.406780432079 0.437828727229 0.577704457958} H6 21 1
1 {} {0.494563712092 0.547985110571 0.411725105483} H7 22 1
1 {} {0.461357301528 0.489746273667 0.35152825009} H8 23 1
1 {} {0.46374786138 0.486174760991 0.469930795498} H9 24 1
1 {} {0.440567836909 0.651662865063 0.524158569119} H10 25 1
1 {} {0.442375121711 0.637634388336 0.302217918015} H11 26 1
1 {} {0.22839485963 0.532086476328 0.634704475268} H12 27 1
1 {} {0.208658533763 0.512985151921 0.478993251933} H13 28 1
1 {} {0.165605492662 0.33167078417 0.688100057157} H14 29 1
1 {} {0.201532898412 0.427705037892 0.761867867029} H15 30 1
1 {} {0.276063969267 0.31602111988 0.54909663568} H16 31 1
1 {} {0.197004138854 0.284291959914 0.544461420332} H17 32 1
1 {} {0.257789982903 0.374077654475 0.382631083013} H18 33 1
1 {} {0.20288162235 0.360741565079 0.376563746554} H19 34 1
1 {} {0.130792670776 0.49928735805 0.696567678461} H20 35 1
1 {} {0.108317158569 0.445766513694 0.623022150736} H21 36 1
6 {} {0.583490584364 0.346838925904 0.308904452699} C4 37 1
14 {} {0.578714298258 0.38040845183 0.425885706372} Si6 38 1
14 {} {0.567539669987 0.257752532542 0.290995098576} Si7 39 1
8 {} {0.607340387946 0.331335348108 0.493911952028} O5 40 1
8 {} {0.601362143782 0.455444229837 0.430911332776} O6 41 1
6 {} {0.51945808077 0.389107821964 0.462519211874} C5 42 1
6 {} {0.50663740813 0.247148328352 0.267355641266} C6 43 1
8 {} {0.582821462289 0.219121485921 0.385267348627} O7 44 1
8 {} {0.597257633538 0.220756562086 0.211106723643} O8 45 1
14 {} {0.645091363061 0.500292979178 0.459561881541} Si8 46 1
7 {} {0.629598153185 0.581373963611 0.486641579886} N4 47 1
14 {} {0.635843857241 0.608919850063 0.596938050925} Si9 48 1
14 {} {0.605711867632 0.635028030183 0.407152358805} Si10 49 1
7 {} {0.61670099295 0.615986149912 0.29757824591} N5 50 1
7 {} {0.68886913685 0.628735697767 0.633097748892} N6 51 1
1 {} {0.564075177344 0.378607461366 0.262962095184} H22 52 1
1 {} {0.618818012565 0.35198511418 0.28931488737} H23 53 1
1 {} {0.605789329814 0.284195252831 0.476428794011} H24 54 1
1 {} {0.500342881822 0.422083866467 0.417962919381} H25 55 1
1 {} {0.518243776355 0.410587989715 0.530036713197} H26 56 1
1 {} {0.502671416699 0.340199128121 0.464902001166} H27 57 1
1 {} {0.497300650252 0.194045450106 0.262698862776} H28 58 1
1 {} {0.497407120962 0.271331412212 0.203979195376} H29 59 1
1 {} {0.486214993307 0.270077705257 0.320082544943} H30 60 1
1 {} {0.585477845088 0.170774933561 0.383020507732} H31 61 1
1 {} {0.584048500976 0.216745193318 0.152386641427} H32 62 1
1 {} {0.667097758653 0.471478121592 0.540206978738} H33 63 1
1 {} {0.676824580215 0.499863796191 0.382918297325} H34 64 1
1 {} {0.608573122686 0.671180851623 0.60374563134} H35 65 1
1 {} {0.61971844498 0.556008424295 0.658973165615} H36 66 1
1 {} {0.555975863879 0.634113372787 0.415336061171} H37 67 1
1 {} {0.622640700062 0.703803768122 0.425860092004} H38 68 1
1 {} {0.600446936993 0.577238255118 0.268061131784} H39 69 1
1 {} {0.648383366215 0.619294459941 0.273766623716} H40 70 1
1 {} {0.710234629076 0.591580128372 0.651153933613} H41 71 1
1 {} {0.705813062989 0.667888957003 0.606033962668} H42 72 1
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