iterations/neb0_image08_iter286.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 {} {0.474357836853 0.212685177991 0.493797798896} O1 1 1
14 {} {0.334471848057 0.214541732363 0.579455222966} Si1 2 1
14 {} {0.611314150267 0.293419296753 0.453368538743} Si2 3 1
8 {} {0.582618740191 0.452877548146 0.43027952511} O2 4 1
8 {} {0.31757865693 0.354038500839 0.664662526521} O3 5 1
14 {} {0.296659032088 0.516835645633 0.658053641738} Si3 6 1
14 {} {0.505283261629 0.596569753224 0.443333461165} Si4 7 1
1 {} {0.335752902216 0.103907861552 0.677756070903} H1 8 1
1 {} {0.223001306808 0.202385069107 0.482399557051} H2 9 1
1 {} {0.663254003282 0.238406208106 0.326295715158} H3 10 1
1 {} {0.709142162482 0.278320417084 0.563634677623} H4 11 1
1 {} {0.151308580863 0.548191393227 0.659432275328} H5 12 1
1 {} {0.367688358994 0.576303383354 0.774288438629} H6 13 1
1 {} {0.31793427107 0.913627242917 0.470355127708} H7 14 1
1 {} {0.476835119815 0.650549422638 0.307968559906} H8 15 1
1 {} {0.59207179268 0.688618700205 0.5215757512} H10 16 1
8 {} {0.360142542407 0.578231560704 0.519634724921} O 17 1
1 {} {0.290671574792 0.853008920067 0.504766165786} 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}}
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	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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	Order	int	0
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@data
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2 0 0 0
14 6 0 0
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15 6 0 0
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7 1 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
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	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