./iterations/neb0_image06_iter262.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.472750911956 0.241802597656 0.491154774308} O1 1 1
14 {} {0.326935202122 0.21858248442 0.562496776567} Si1 2 1
14 {} {0.608439053754 0.329313234736 0.46629744795} Si2 3 1
8 {} {0.579048394043 0.485778791138 0.50522439024} O2 4 1
8 {} {0.275732464904 0.35408577532 0.639043479585} O3 5 1
14 {} {0.280232732989 0.517401323075 0.652634602402} Si3 6 1
14 {} {0.490662671997 0.614620515598 0.453448145762} Si4 7 1
1 {} {0.338637699492 0.112125794549 0.666398290814} H1 8 1
1 {} {0.230570893637 0.182717390141 0.454000504546} H2 9 1
1 {} {0.645559987461 0.323387047844 0.323028712421} H3 10 1
1 {} {0.716359043241 0.280981541929 0.555730943079} H4 11 1
1 {} {0.145658827572 0.553113791269 0.707978158143} H5 12 1
1 {} {0.382885146966 0.569641847532 0.746665233665} H6 13 1
1 {} {0.392048375773 0.800732043484 0.517532737805} H7 14 1
1 {} {0.473922165277 0.627610834849 0.306497903867} H8 15 1
1 {} {0.59399211631 0.721125311075 0.485665916203} H10 16 1
8 {} {0.327780360614 0.578163174946 0.505807149169} O 17 1
1 {} {0.328869961926 0.761334544359 0.491453085242} 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