./iterations/neb0_image02_iter33.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 {} {0.468167590823 0.238279882297 0.474871155194} O1 1 1
14 {} {0.329935127939 0.246324958251 0.562402101442} Si1 2 1
14 {} {0.596461444838 0.331387035329 0.432133359251} Si2 3 1
8 {} {0.543293016731 0.475555608178 0.374450040099} O2 4 1
8 {} {0.33372820815 0.377931988343 0.659510183339} O3 5 1
14 {} {0.27000267089 0.517738242799 0.716681739685} Si3 6 1
14 {} {0.529059523751 0.640066591952 0.378340737604} Si4 7 1
1 {} {0.321696959536 0.122933122827 0.645286507655} H1 8 1
1 {} {0.214747334262 0.253319725452 0.468572211793} H2 9 1
1 {} {0.668680179436 0.254348164402 0.328583266589} H3 10 1
1 {} {0.684715848569 0.348171758102 0.550208071475} H4 11 1
1 {} {0.124902516258 0.498894200004 0.736626823087} H5 12 1
1 {} {0.340982447668 0.545264333188 0.845070003947} H6 13 1
1 {} {0.388392297604 0.680040517721 0.358248967241} H7 14 1
1 {} {0.611050487349 0.702468258135 0.268396657468} H8 15 1
1 {} {0.567444730156 0.687435569386 0.516095541303} H10 16 1
8 {} {0.280105041671 0.634759445417 0.603417192577} O 17 1
1 {} {0.336720723354 0.717598560073 0.612163429195} 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