./neb0_image09.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_image09

@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 {} {0.363994261623 0.521370496522 0.423764069287} C1 1 1
14 {} {0.344957776478 0.488367945088 0.534820076186} Si1 2 1
14 {} {0.419235940484 0.563487467874 0.419578974345} Si2 3 1
8 {} {0.348196973739 0.548640139581 0.61008586642} O1 4 1
8 {} {0.292036745579 0.466379316402 0.526884798386} O2 5 1
6 {} {0.376591688102 0.412402539548 0.570214433552} C2 6 1
6 {} {0.468306831717 0.50588742869 0.41330325526} C3 7 1
8 {} {0.420833473627 0.607909423501 0.5146750504} O3 8 1
8 {} {0.419556445131 0.614375922433 0.331792314818} O4 9 1
14 {} {0.239707521037 0.471993850234 0.557492883969} Si3 10 1
7 {} {0.220056961627 0.393272643198 0.588925991091} N1 11 1
14 {} {0.184020667179 0.388917180791 0.680770608889} Si4 12 1
14 {} {0.23566206916 0.323260907588 0.524991100238} Si5 13 1
7 {} {0.236880291655 0.335627072416 0.411373873386} N2 14 1
7 {} {0.136514240461 0.437252456946 0.673589106497} N3 15 1
1 {} {0.363546069987 0.480937865844 0.373730491535} H1 16 1
1 {} {0.33906195299 0.558543097784 0.401765269874} H2 17 1
1 {} {0.37198411999 0.580772780955 0.597029465045} H3 18 1
1 {} {0.373271083066 0.371404521462 0.52171632977} H4 19 1
1 {} {0.363917188601 0.394345725188 0.634718321376} H5 20 1
1 {} {0.412303888993 0.423379837191 0.578507848324} H6 21 1
1 {} {0.500087169006 0.533536220533 0.412528495849} H7 22 1
1 {} {0.466880758442 0.475297383629 0.352331640456} H8 23 1
1 {} {0.469271318294 0.471725870953 0.470734185864} H9 24 1
1 {} {0.446091293823 0.637213975025 0.524961959485} H10 25 1
1 {} {0.447898578625 0.623185498298 0.303021308381} H11 26 1
1 {} {0.233918316544 0.51763758629 0.635507865634} H12 27 1
1 {} {0.214181990677 0.498536261883 0.479796642299} H13 28 1
1 {} {0.171128949576 0.317221894132 0.688903447523} H14 29 1
1 {} {0.207056355326 0.413256147854 0.762671257395} H15 30 1
1 {} {0.281587426181 0.301572229842 0.549900026046} H16 31 1
1 {} {0.202527595768 0.269843069876 0.545264810698} H17 32 1
1 {} {0.263313439817 0.359628764437 0.383434473379} H18 33 1
1 {} {0.208405079264 0.346292675041 0.37736713692} H19 34 1
1 {} {0.13631612769 0.484838468012 0.697371068827} H20 35 1
1 {} {0.113840615483 0.431317623656 0.623825541102} H21 36 1
6 {} {0.577967127449 0.361287815943 0.308101062333} C4 37 1
14 {} {0.573190841343 0.394857341869 0.425082316006} Si6 38 1
14 {} {0.562016213072 0.272201422581 0.29019170821} Si7 39 1
8 {} {0.601816931031 0.345784238147 0.493108561662} O5 40 1
8 {} {0.595838686867 0.469893119876 0.43010794241} O6 41 1
6 {} {0.513934623855 0.403556712003 0.461715821508} C5 42 1
6 {} {0.501113951215 0.261597218391 0.2665522509} C6 43 1
8 {} {0.577298005374 0.23357037596 0.384463958261} O7 44 1
8 {} {0.591734176623 0.235205452125 0.210303333277} O8 45 1
14 {} {0.639567906146 0.514741869217 0.458758491175} Si8 46 1
7 {} {0.62407469627 0.59582285365 0.48583818952} N4 47 1
14 {} {0.630320400326 0.623368740102 0.596134660559} Si9 48 1
14 {} {0.600188410717 0.649476920222 0.406348968439} Si10 49 1
7 {} {0.611177536035 0.630435039951 0.296774855544} N5 50 1
7 {} {0.683345679935 0.643184587806 0.632294358526} N6 51 1
1 {} {0.558551720429 0.393056351405 0.262158704818} H22 52 1
1 {} {0.61329455565 0.366434004219 0.288511497004} H23 53 1
1 {} {0.600265872899 0.29864414287 0.475625403645} H24 54 1
1 {} {0.494819424907 0.436532756506 0.417159529015} H25 55 1
1 {} {0.51272031944 0.425036879754 0.529233322831} H26 56 1
1 {} {0.497147959784 0.35464801816 0.4640986108} H27 57 1
1 {} {0.491777193337 0.208494340145 0.26189547241} H28 58 1
1 {} {0.491883664047 0.285780302251 0.20317580501} H29 59 1
1 {} {0.480691536392 0.284526595296 0.319279154577} H30 60 1
1 {} {0.579954388173 0.1852238236 0.382217117366} H31 61 1
1 {} {0.578525044061 0.231194083357 0.151583251061} H32 62 1
1 {} {0.661574301738 0.485927011631 0.539403588372} H33 63 1
1 {} {0.6713011233 0.51431268623 0.382114906959} H34 64 1
1 {} {0.603049665771 0.685629741662 0.602942240974} H35 65 1
1 {} {0.614194988065 0.570457314334 0.658169775249} H36 66 1
1 {} {0.550452406964 0.648562262826 0.414532670805} H37 67 1
1 {} {0.617117243147 0.718252658161 0.425056701638} H38 68 1
1 {} {0.594923480078 0.591687145157 0.267257741418} H39 69 1
1 {} {0.6428599093 0.63374334998 0.27296323335} H40 70 1
1 {} {0.704711172161 0.606029018411 0.650350543247} H41 71 1
1 {} {0.700289606074 0.682337847042 0.605230572302} H42 72 1
@end
@Columns Cell
	Constraints	string	{a b c A B G}
	Origin	int	{{0 0 0}}
	Parameters	double	{{10.0 10.0 10.0 90.0 90.0 90.0}}
	PrimitiveData	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	RotationMatrix	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	SpaceGroup	string	P1
	SpaceGroupNumber	int	1
	ToCartesians	double	{{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}}
	ToFractionals	double	{{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}}
@end
@data
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@end
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@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
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@end
@Columns Subset
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@data
@end