./iterations/neb0_image09_iter137.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 {} {0.47218368419 0.215308585727 0.49432888273} O1 1 1
14 {} {0.334500638571 0.216040848197 0.584291405017} Si1 2 1
14 {} {0.604076210657 0.299219606319 0.44435378566} Si2 3 1
8 {} {0.564121546533 0.452608509371 0.400113253498} O2 4 1
8 {} {0.326127392906 0.351609232992 0.67761281247} O3 5 1
14 {} {0.298035662203 0.51381506499 0.671522797069} Si3 6 1
14 {} {0.508635188726 0.598397676633 0.451775020897} Si4 7 1
1 {} {0.337814520847 0.0988863455307 0.675129489804} H1 8 1
1 {} {0.217748479105 0.211410460899 0.491770842819} H2 9 1
1 {} {0.659119473566 0.230063965487 0.325422676739} H3 10 1
1 {} {0.702719050259 0.306023110901 0.555767176216} H4 11 1
1 {} {0.152414974264 0.539849414599 0.656686875097} H5 12 1
1 {} {0.35316742698 0.572352134385 0.79653336076} H6 13 1
1 {} {0.321521423779 0.889877663184 0.41864670578} H7 14 1
1 {} {0.474055000336 0.677457898646 0.331366170776} H8 15 1
1 {} {0.61287289294 0.664767039482 0.53553555554} H10 16 1
8 {} {0.371896854543 0.581166339982 0.541142340122} O 17 1
1 {} {0.299075716683 0.853664058805 0.479058750859} 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