iterations/neb0_image08_iter258.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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@data
8 {} {0.472667081132 0.221783417716 0.493678231812} O1 1 1
14 {} {0.331674219362 0.217297229157 0.577307896351} Si1 2 1
14 {} {0.613591172997 0.294981449603 0.452593046546} Si2 3 1
8 {} {0.589750950968 0.454859989255 0.424017455717} O2 4 1
8 {} {0.315297596374 0.350993773771 0.671718274508} O3 5 1
14 {} {0.299423935597 0.514457132291 0.665216812861} Si3 6 1
14 {} {0.509648195253 0.596394801705 0.446234280802} Si4 7 1
1 {} {0.333562142638 0.0989441797794 0.666786902418} H1 8 1
1 {} {0.220647255692 0.211081283431 0.478465212172} H2 9 1
1 {} {0.663344501288 0.231794165449 0.327729437747} H3 10 1
1 {} {0.710863610245 0.280802062347 0.56470333166} H4 11 1
1 {} {0.155744587112 0.552408717449 0.658303523786} H5 12 1
1 {} {0.367280568229 0.57032653874 0.785686633045} H6 13 1
1 {} {0.313055583824 0.91462422177 0.474638917761} H7 14 1
1 {} {0.472690816657 0.652498152609 0.313619828877} H8 15 1
1 {} {0.597109866433 0.687868607604 0.525289371} H10 16 1
8 {} {0.369078522937 0.571947430942 0.527920260351} O 17 1
1 {} {0.274655615857 0.849454727841 0.477148315947} H14 18 1
@end
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	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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	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
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2 0 0 0
14 6 0 0
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10 2 0 0
9 2 0 0
@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
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	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
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@end
@data
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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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	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end