./iterations/neb0_image09_iter192.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472232646373 0.216362411503 0.493866262325} O1 1 1
14 {} {0.333350588549 0.215458871596 0.582194355531} Si1 2 1
14 {} {0.605631321612 0.29772338227 0.444563473076} Si2 3 1
8 {} {0.568363709227 0.452231265674 0.40179887263} O2 4 1
8 {} {0.323154918705 0.349201278017 0.677210361624} O3 5 1
14 {} {0.299298307102 0.512130088199 0.673031105049} Si3 6 1
14 {} {0.51083265728 0.597264759159 0.452416157542} Si4 7 1
1 {} {0.335460418024 0.0970557307629 0.671608100103} H1 8 1
1 {} {0.218218185184 0.212608098876 0.487581491071} H2 9 1
1 {} {0.659441489724 0.229183549924 0.324566248439} H3 10 1
1 {} {0.704567913827 0.301904356709 0.555873928912} H4 11 1
1 {} {0.154146596343 0.541149069544 0.659503086289} H5 12 1
1 {} {0.355906808617 0.568345344298 0.798419291239} H6 13 1
1 {} {0.318664669803 0.906624554997 0.426691801286} H7 14 1
1 {} {0.47433555968 0.675186230625 0.331579322044} H8 15 1
1 {} {0.614917896033 0.666122334364 0.53415881898} H10 16 1
8 {} {0.375017288281 0.577945186042 0.543003964243} O 17 1
1 {} {0.286545129517 0.85602142247 0.472991052206} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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