./iterations/neb0_image04_iter106.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.467424634223 0.234956024514 0.490301899627} O1 1 1
14 {} {0.328704876776 0.228075421507 0.577242343681} Si1 2 1
14 {} {0.583253429162 0.341103505034 0.441418489196} Si2 3 1
8 {} {0.518930969918 0.486543092037 0.403128277489} O2 4 1
8 {} {0.321289867693 0.355681178945 0.681831938672} O3 5 1
14 {} {0.278324613217 0.512854297305 0.70161321995} Si3 6 1
14 {} {0.529952139848 0.651557717402 0.400396015409} Si4 7 1
1 {} {0.330004966051 0.101729809171 0.656032559994} H1 8 1
1 {} {0.210787427816 0.232484157823 0.485517595969} H2 9 1
1 {} {0.643964516015 0.283967744475 0.319487496341} H3 10 1
1 {} {0.683745627196 0.351832374491 0.551102319702} H4 11 1
1 {} {0.130637147779 0.531941312255 0.692663820111} H5 12 1
1 {} {0.342238393238 0.559804799633 0.826764234363} H6 13 1
1 {} {0.406208490611 0.735014840836 0.394598531662} H7 14 1
1 {} {0.594335207562 0.682506176472 0.26985189716} H8 15 1
1 {} {0.606067501216 0.7018786411 0.518041415204} H10 16 1
8 {} {0.342490380477 0.60260761162 0.578271592133} O 17 1
1 {} {0.29172590414 0.677979234794 0.542794343499} 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