./iterations/neb0_image08_iter134.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471304162276 0.221598587065 0.490490838045} O1 1 1
14 {} {0.331119278879 0.220589057802 0.5771608435} Si1 2 1
14 {} {0.605635446385 0.304637453024 0.446291252306} Si2 3 1
8 {} {0.570469896485 0.459894318529 0.403327961151} O2 4 1
8 {} {0.324676687519 0.349705114577 0.679200083225} O3 5 1
14 {} {0.300657214285 0.513110283843 0.674897380572} Si3 6 1
14 {} {0.508649990397 0.603583555978 0.453313874918} Si4 7 1
1 {} {0.328464798076 0.0976565589095 0.659661193705} H1 8 1
1 {} {0.216552064614 0.225944509364 0.48236071865} H2 9 1
1 {} {0.662425377826 0.236567562531 0.327101820072} H3 10 1
1 {} {0.70182517316 0.309389143378 0.560534473639} H4 11 1
1 {} {0.15495565273 0.542156972524 0.663285926698} H5 12 1
1 {} {0.358847971049 0.569124469815 0.800174010467} H6 13 1
1 {} {0.331192541135 0.865365685886 0.430314668238} H7 14 1
1 {} {0.470545531673 0.678202965193 0.331179398418} H8 15 1
1 {} {0.608628078836 0.677837766219 0.53539747057} H10 16 1
8 {} {0.373120962897 0.579975655355 0.544135951311} O 17 1
1 {} {0.29101535326 0.817178305296 0.472230047117} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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