iterations/neb0_image07_iter272.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
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@data
8 {} {0.480157022404 0.207639254263 0.50314314392} O1 1 1
14 {} {0.338699236849 0.21031013579 0.58577977602} Si1 2 1
14 {} {0.612616385135 0.293654917201 0.45503549198} Si2 3 1
8 {} {0.578427465646 0.450994650439 0.431055422855} O2 4 1
8 {} {0.313965934383 0.355079665716 0.662052420345} O3 5 1
14 {} {0.28969453342 0.51632159609 0.646735908392} Si3 6 1
14 {} {0.496814715867 0.593139561306 0.430482340506} Si4 7 1
1 {} {0.34179888888 0.107508897218 0.693778870086} H1 8 1
1 {} {0.229835583688 0.18579946889 0.486789723102} H2 9 1
1 {} {0.662111203952 0.238065991461 0.326630198191} H3 10 1
1 {} {0.714652746615 0.280778080032 0.562028854158} H4 11 1
1 {} {0.143119993596 0.541254769774 0.648875102479} H5 12 1
1 {} {0.360514542984 0.584400292695 0.758947462129} H6 13 1
1 {} {0.338228662674 0.923570466761 0.494794567742} H7 14 1
1 {} {0.471161147456 0.635851364346 0.290857663592} H8 15 1
1 {} {0.580026361995 0.693769474223 0.502598502266} H10 16 1
8 {} {0.350385800171 0.575010172732 0.504053173257} O 17 1
1 {} {0.307875554789 0.87936909907 0.547419066617} 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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	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
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@data
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14 6 0 0
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7 1 0 0
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5 4 0 0
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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@data
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9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
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	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end