iterations/neb0_image07_iter141.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	{{}}
	Site	int	1
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@end
@data
8 {} {0.470266741862 0.233426571713 0.492887790371} O1 1 1
14 {} {0.330486921313 0.222136470943 0.578152055056} Si1 2 1
14 {} {0.610319697985 0.308021070045 0.449370044743} Si2 3 1
8 {} {0.589299524266 0.467911342221 0.415694476433} O2 4 1
8 {} {0.315990694929 0.351726848397 0.679151054306} O3 5 1
14 {} {0.29527037182 0.514052997829 0.66235838373} Si3 6 1
14 {} {0.500176312441 0.603397211365 0.44634128469} Si4 7 1
1 {} {0.333707382289 0.0986154880191 0.659931569305} H1 8 1
1 {} {0.216133748537 0.218182770882 0.482201585487} H2 9 1
1 {} {0.659976618532 0.23575521518 0.329067807428} H3 10 1
1 {} {0.707861977241 0.298358618614 0.561714626489} H4 11 1
1 {} {0.150425266503 0.545206093006 0.658454266882} H5 12 1
1 {} {0.366249550628 0.582762095845 0.773436322373} H6 13 1
1 {} {0.348546463877 0.85971945798 0.463553176163} H7 14 1
1 {} {0.454638422074 0.670868164846 0.32162104508} H8 15 1
1 {} {0.583276813097 0.69317909816 0.530644587853} H10 16 1
8 {} {0.359983097716 0.563035050153 0.520070462756} O 17 1
1 {} {0.317476442714 0.806163290992 0.50640735953} 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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2 0 0 0
14 6 0 0
16 5 0 2
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4 1 0 0
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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
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3 16 5 {0 0 0} 0
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5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
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
	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