iterations/neb0_image09_iter27.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	{{}}
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	WyckoffPosition	int	-1
@end
@data
8 {} {0.471532124951 0.214661655674 0.494850192049} O1 1 1
14 {} {0.336171654961 0.217327595815 0.587135216138} Si1 2 1
14 {} {0.602920884429 0.299057036015 0.444477568109} Si2 3 1
8 {} {0.55846373203 0.450967703011 0.401190949903} O2 4 1
8 {} {0.328512897642 0.356252517844 0.674364391119} O3 5 1
14 {} {0.29551942992 0.517123251079 0.669375086993} Si3 6 1
14 {} {0.506577294576 0.598998272392 0.450699033578} Si4 7 1
1 {} {0.34219893666 0.104692805956 0.683937774863} H1 8 1
1 {} {0.217968632706 0.207813492443 0.496791006011} H2 9 1
1 {} {0.658566302677 0.228622231105 0.326129564983} H3 10 1
1 {} {0.702857941222 0.307455872613 0.554739132924} H4 11 1
1 {} {0.148546618052 0.534404109529 0.661477676646} H5 12 1
1 {} {0.346243836669 0.573128716912 0.796727812442} H6 13 1
1 {} {0.322622912967 0.88035067744 0.413731840607} H7 14 1
1 {} {0.486152757884 0.674795072624 0.323187237879} H8 15 1
1 {} {0.609624986462 0.665614939117 0.535055510295} H10 16 1
8 {} {0.368684231433 0.586022868543 0.536732301567} O 17 1
1 {} {0.30692098614 0.855229128908 0.48045569857} 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