iterations/neb0_image08_iter209.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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	WyckoffPosition	int	-1
@end
@data
8 {} {0.471464382024 0.2262937232 0.493193408355} O1 1 1
14 {} {0.330270675807 0.219317919916 0.576606930489} Si1 2 1
14 {} {0.613375373982 0.297868741716 0.450756628535} Si2 3 1
8 {} {0.592494533186 0.456988856554 0.415198407097} O2 4 1
8 {} {0.313241334634 0.348613868071 0.677694030391} O3 5 1
14 {} {0.300058604299 0.512725662195 0.671112490397} Si3 6 1
14 {} {0.512349333568 0.596762286195 0.449069000151} Si4 7 1
1 {} {0.331514024404 0.0965918494908 0.66063011208} H1 8 1
1 {} {0.218523867703 0.218450027077 0.47754296814} H2 9 1
1 {} {0.663494580852 0.230406993423 0.328091600997} H3 10 1
1 {} {0.709476661059 0.287185361876 0.564273800481} H4 11 1
1 {} {0.157031103215 0.552158896283 0.660050360982} H5 12 1
1 {} {0.365274612644 0.568529793854 0.792728615872} H6 13 1
1 {} {0.31165266979 0.903971272222 0.473718857983} H7 14 1
1 {} {0.470928696621 0.657047972699 0.318954723609} H8 15 1
1 {} {0.602434094935 0.686429282461 0.528234999598} H10 16 1
8 {} {0.375577254781 0.569293397712 0.536047921042} O 17 1
1 {} {0.270924458738 0.843881956596 0.457152883684} 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
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	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
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2 0 0 0
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16 5 0 2
15 6 0 0
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11 5 0 0
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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}}
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@end
@data
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8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
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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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	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end