./iterations/neb0_image07_iter99.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
	WyckoffPosition	int	-1
@end
@data
8 {} {0.470346295428 0.22179892527 0.490585672397} O1 1 1
14 {} {0.330907424492 0.222805705812 0.578060189203} Si1 2 1
14 {} {0.60012286406 0.312430969958 0.445418795936} Si2 3 1
8 {} {0.558264503038 0.464890134088 0.403582554911} O2 4 1
8 {} {0.326314766843 0.352855266922 0.679240748124} O3 5 1
14 {} {0.298273710097 0.515129191722 0.677034958439} Si3 6 1
14 {} {0.50359916438 0.610861102399 0.452659897772} Si4 7 1
1 {} {0.327117988705 0.100500703416 0.662136297296} H1 8 1
1 {} {0.215834048928 0.230299722944 0.483390040299} H2 9 1
1 {} {0.659237723077 0.254460699158 0.322643164906} H3 10 1
1 {} {0.694866538704 0.320298192243 0.560114709954} H4 11 1
1 {} {0.151806280479 0.541359280605 0.667499447445} H5 12 1
1 {} {0.355163168069 0.569827478814 0.803263173545} H6 13 1
1 {} {0.35117991051 0.82307970089 0.427658904387} H7 14 1
1 {} {0.483890728941 0.682019252384 0.323499031436} H8 15 1
1 {} {0.60445357612 0.68408857139 0.534508247031} H10 16 1
8 {} {0.369999655471 0.58470325435 0.546505420298} O 17 1
1 {} {0.308707784383 0.781109805834 0.473256692078} 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
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
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 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
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
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end