iterations/neb0_image06_iter12.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 {} {0.46901566587 0.22674788724 0.484402311067} O1 1 1
14 {} {0.33186439419 0.228070389528 0.573151905703} Si1 2 1
14 {} {0.603727406523 0.309752598565 0.439599284308} Si2 3 1
8 {} {0.55919599601 0.460562569075 0.384963317741} O2 4 1
8 {} {0.331146380137 0.364006336882 0.671609793056} O3 5 1
14 {} {0.284311300634 0.519666466101 0.68971908383} Si3 6 1
14 {} {0.50618580772 0.61619925604 0.425730890869} Si4 7 1
1 {} {0.331893830999 0.112292983493 0.665034381287} H1 8 1
1 {} {0.215324198982 0.231300124451 0.480528603432} H2 9 1
1 {} {0.666376058785 0.236213065651 0.326742282344} H3 10 1
1 {} {0.696268051886 0.325844799956 0.555496600827} H4 11 1
1 {} {0.12909423283 0.512744682758 0.70277905633} H5 12 1
1 {} {0.343695567766 0.554587761199 0.829184639874} H6 13 1
1 {} {0.344585261769 0.802464157906 0.408705766333} H7 14 1
1 {} {0.539651894608 0.689051557571 0.292037327152} H8 15 1
1 {} {0.591678495841 0.678584506472 0.530008547247} H10 16 1
8 {} {0.338986411331 0.619361311109 0.565800051204} O 17 1
1 {} {0.327085192396 0.785067505597 0.50556415705} 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