./iterations/neb0_image01_iter264.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished
#MD System 2.0

@Title neb0_image01

@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 {} {0.462144893944 0.259911870766 0.479972764718} O1 1 1
14 {} {0.327326193582 0.248954909146 0.57228376526} Si1 2 1
14 {} {0.595157996804 0.339139839921 0.426365060535} Si2 3 1
8 {} {0.554346363493 0.478194209016 0.349554506675} O2 4 1
8 {} {0.321704357724 0.368618795633 0.684515889031} O3 5 1
14 {} {0.254036894749 0.511134718207 0.73264553724} Si3 6 1
14 {} {0.540513261612 0.642017174724 0.358561133184} Si4 7 1
1 {} {0.332532824484 0.119004519388 0.643868345608} H1 8 1
1 {} {0.208177006718 0.257557225922 0.483536341307} H2 9 1
1 {} {0.661942693359 0.251408144736 0.327079273024} H3 10 1
1 {} {0.68289545871 0.372013126999 0.542395087996} H4 11 1
1 {} {0.107252447557 0.494157271842 0.745821847587} H5 12 1
1 {} {0.320416621877 0.547430100815 0.860918623465} H6 13 1
1 {} {0.408004192614 0.682556423828 0.304221063122} H7 14 1
1 {} {0.650645565557 0.705504273406 0.281042749107} H8 15 1
1 {} {0.55180198127 0.687616956037 0.501124412249} H10 16 1
8 {} {0.272518046428 0.631203361192 0.620727261865} O 17 1
1 {} {0.358669102634 0.676094759726 0.616424235247} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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