iterations/neb0_image08_iter56.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
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@end
@data
8 {} {0.47164702533 0.214910328601 0.487364754445} O1 1 1
14 {} {0.334083724591 0.220964810437 0.577939961679} Si1 2 1
14 {} {0.601640634452 0.306676244058 0.443527373549} Si2 3 1
8 {} {0.555922439688 0.45840478296 0.401421963668} O2 4 1
8 {} {0.332127105018 0.35534760461 0.674051098414} O3 5 1
14 {} {0.297647405486 0.51629927154 0.674317562807} Si3 6 1
14 {} {0.502706215346 0.604789065309 0.454072482374} Si4 7 1
1 {} {0.332726448198 0.103008202391 0.668377230969} H1 8 1
1 {} {0.216247511251 0.223921096209 0.485634885022} H2 9 1
1 {} {0.662382671771 0.242228332665 0.324416384567} H3 10 1
1 {} {0.697380444353 0.319147964729 0.557503536033} H4 11 1
1 {} {0.150276055898 0.537441173744 0.666284072565} H5 12 1
1 {} {0.354111126387 0.574013640378 0.799522075312} H6 13 1
1 {} {0.333051031617 0.834996441749 0.415601031337} H7 14 1
1 {} {0.476725636781 0.682392789585 0.330898851752} H8 15 1
1 {} {0.605334936621 0.67088113328 0.539566059885} H10 16 1
8 {} {0.366071807503 0.588042289676 0.543536946811} O 17 1
1 {} {0.320003904788 0.819052791142 0.487021727893} H14 18 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
{a b c A B G} {0 0 0} {10 10 10 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{10 0 0} {0 10 0} {0 0 10}} {{0.1 0 0} {0 0.1 0} {0 0 0.1}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
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1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
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3 2 0 0
11 5 0 0
7 1 0 0
8 1 0 0
6 3 0 0
5 4 0 0
10 2 0 0
9 2 0 0
@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
0 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
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5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
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	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end