iterations/neb0_image08_iter122.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 {} {0.47125785757 0.220655609689 0.489495294681} O1 1 1
14 {} {0.331972050632 0.220776154269 0.577254061381} Si1 2 1
14 {} {0.604735712943 0.305793596294 0.445424775932} Si2 3 1
8 {} {0.565623916898 0.459403718528 0.4024175048} O2 4 1
8 {} {0.326086239235 0.350764201264 0.678318967179} O3 5 1
14 {} {0.299842805433 0.513318301652 0.675736187294} Si3 6 1
14 {} {0.507435530381 0.604057808661 0.453400782825} Si4 7 1
1 {} {0.328705335631 0.0982549754934 0.661306845304} H1 8 1
1 {} {0.216485017842 0.226933936155 0.482883227626} H2 9 1
1 {} {0.662580645017 0.239434458043 0.326080598637} H3 10 1
1 {} {0.700062957809 0.31289455166 0.559915573995} H4 11 1
1 {} {0.1539444717 0.539927100897 0.665279250036} H5 12 1
1 {} {0.357060735644 0.569277221682 0.801133383424} H6 13 1
1 {} {0.332650673475 0.85806424054 0.42414978522} H7 14 1
1 {} {0.473276533147 0.680316902413 0.330840301163} H8 15 1
1 {} {0.609236791279 0.675789702485 0.536249992743} H10 16 1
8 {} {0.371653216847 0.580863498205 0.544814581447} O 17 1
1 {} {0.297475677821 0.815992001887 0.476356821279} 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
4 1 0 0
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