./iterations/neb0_image05_iter36.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.469804267545 0.226674212342 0.483550640855} O1 1 1
14 {} {0.332635147007 0.23561029695 0.573799971969} Si1 2 1
14 {} {0.592854716389 0.325364161922 0.439435518655} Si2 3 1
8 {} {0.533188364064 0.47668480602 0.403456907869} O2 4 1
8 {} {0.333775950052 0.372181045674 0.657229995976} O3 5 1
14 {} {0.282555552479 0.523159357735 0.692475065371} Si3 6 1
14 {} {0.503190981814 0.640457933779 0.424302405561} Si4 7 1
1 {} {0.330817981346 0.116225641725 0.662630699644} H1 8 1
1 {} {0.21618202514 0.232489278493 0.482209968266} H2 9 1
1 {} {0.661141651456 0.25028285353 0.328549490715} H3 10 1
1 {} {0.691467651297 0.3314046368 0.55092701109} H4 11 1
1 {} {0.136694800828 0.5254877413 0.698762892957} H5 12 1
1 {} {0.340124902547 0.562941729092 0.820015878474} H6 13 1
1 {} {0.376691408369 0.767227816612 0.425847047284} H7 14 1
1 {} {0.53973789516 0.68468048358 0.284190381597} H8 15 1
1 {} {0.592956419703 0.682805999736 0.534132374388} H10 16 1
8 {} {0.345940374764 0.616126217887 0.568979561656} O 17 1
1 {} {0.330326037772 0.702713745861 0.500562166724} 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