./iterations/neb0_image02_iter255.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.457796400032 0.265941576998 0.489586641947} O1 1 1
14 {} {0.326529511385 0.240091849755 0.584266069642} Si1 2 1
14 {} {0.583704271394 0.34937585621 0.427941608189} Si2 3 1
8 {} {0.532495850911 0.492766100048 0.365649190973} O2 4 1
8 {} {0.311268599234 0.355912242334 0.700175201963} O3 5 1
14 {} {0.243339921232 0.502106054251 0.732695703435} Si3 6 1
14 {} {0.562023813109 0.654400399052 0.356524575712} Si4 7 1
1 {} {0.345212143649 0.1102289613 0.653728953517} H1 8 1
1 {} {0.205503328386 0.238982281383 0.497958667237} H2 9 1
1 {} {0.641605693909 0.268293916356 0.317902664158} H3 10 1
1 {} {0.682183940596 0.377017208705 0.536296121074} H4 11 1
1 {} {0.0970672554475 0.486186626041 0.749010558679} H5 12 1
1 {} {0.310862371662 0.554248788919 0.85458133547} H6 13 1
1 {} {0.436909210011 0.721479759641 0.310543606589} H7 14 1
1 {} {0.67389466759 0.681431456139 0.261748124212} H8 15 1
1 {} {0.601628598172 0.708051327325 0.490758227034} H10 16 1
8 {} {0.257685879027 0.609144536326 0.606985415808} O 17 1
1 {} {0.340374875838 0.656859200971 0.594705222646} 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 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
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 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
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end