./iterations/neb0_image09_iter199.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
8 {} {0.471815683165 0.215862028181 0.49403425729} O1 1 1
14 {} {0.333435274679 0.215010337747 0.58165736735} Si1 2 1
14 {} {0.605979026486 0.297602856574 0.444619694112} Si2 3 1
8 {} {0.56927614854 0.451762219892 0.402294809765} O2 4 1
8 {} {0.32291571248 0.349480868479 0.676961235862} O3 5 1
14 {} {0.299540586005 0.511997266705 0.673294694124} Si3 6 1
14 {} {0.511286470113 0.597413647477 0.452464989303} Si4 7 1
1 {} {0.334968232942 0.096679138557 0.671465958747} H1 8 1
1 {} {0.218295887184 0.212358332855 0.486815315345} H2 9 1
1 {} {0.659434683918 0.229236851117 0.324315017085} H3 10 1
1 {} {0.704865156709 0.300738111019 0.556036015414} H4 11 1
1 {} {0.154397478254 0.541793712742 0.659481800341} H5 12 1
1 {} {0.356790786174 0.568268161839 0.798520520703} H6 13 1
1 {} {0.317988909875 0.908894892536 0.428347117465} H7 14 1
1 {} {0.474131840657 0.674533457457 0.331564479056} H8 15 1
1 {} {0.615051250373 0.666362763185 0.534355023421} H10 16 1
8 {} {0.375277408147 0.578125160505 0.543247653694} O 17 1
1 {} {0.284635571173 0.856398145304 0.471581713626} 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
12 5 0 0
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 0
15 6 0 0
16 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
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end