iterations/neb0_image06_iter181.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 {} {0.476032903503 0.22383391965 0.486609128073} O1 1 1
14 {} {0.332152595266 0.219875179076 0.565746059023} Si1 2 1
14 {} {0.60795255569 0.316669020301 0.45423540651} Si2 3 1
8 {} {0.570371569101 0.474334007746 0.452775208905} O2 4 1
8 {} {0.305202408721 0.354556423466 0.657121148134} O3 5 1
14 {} {0.286089347051 0.517065737646 0.656816756205} Si3 6 1
14 {} {0.484169948589 0.612315325005 0.446233625968} Si4 7 1
1 {} {0.338346708788 0.106096049668 0.660860084063} H1 8 1
1 {} {0.223439998447 0.204522753775 0.463980032945} H2 9 1
1 {} {0.660729263457 0.283150793078 0.32085335772} H3 10 1
1 {} {0.708248067483 0.294293406244 0.560287303387} H4 11 1
1 {} {0.144904268467 0.545047702881 0.694565504167} H5 12 1
1 {} {0.376470486629 0.582106919058 0.755564690189} H6 13 1
1 {} {0.392295470321 0.817041790376 0.520838829607} H7 14 1
1 {} {0.469511174915 0.65786760471 0.30522906788} H8 15 1
1 {} {0.58054696679 0.704642204362 0.514531953942} H10 16 1
8 {} {0.328994166336 0.575815226628 0.507442610357} O 17 1
1 {} {0.324628036136 0.78328376567 0.507367295302} 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