iterations/neb0_image09_iter35.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 {} {0.471963977254 0.213749068958 0.494416868396} O1 1 1
14 {} {0.335789012535 0.217120940954 0.587113181418} Si1 2 1
14 {} {0.602598656784 0.298608008037 0.444856707354} Si2 3 1
8 {} {0.55846927083 0.45126918316 0.401850607963} O2 4 1
8 {} {0.329248090006 0.355250351036 0.673941236977} O3 5 1
14 {} {0.296131654698 0.516726513507 0.668837035525} Si3 6 1
14 {} {0.507321786441 0.598975964464 0.450304378207} Si4 7 1
1 {} {0.341776273797 0.104557011031 0.683145975098} H1 8 1
1 {} {0.218061127984 0.208267312539 0.496667778404} H2 9 1
1 {} {0.658428938558 0.22990787902 0.326060610297} H3 10 1
1 {} {0.702593071742 0.307946494403 0.554763238359} H4 11 1
1 {} {0.149368596041 0.536166967667 0.659629572193} H5 12 1
1 {} {0.347525580998 0.574652016751 0.795447843164} H6 13 1
1 {} {0.323326489999 0.879510629124 0.412300647401} H7 14 1
1 {} {0.482518495422 0.675131983255 0.32539570839} H8 15 1
1 {} {0.610456678571 0.665637938226 0.53632555227} H10 16 1
8 {} {0.367562385378 0.585481990659 0.537737097066} O 17 1
1 {} {0.306946078345 0.853557691027 0.482263956256} 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
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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
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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