./iterations/neb0_image06_iter25.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 {} {0.469581577986 0.22648117245 0.481613383767} O1 1 1
14 {} {0.331375831838 0.233286974531 0.573747152134} Si1 2 1
14 {} {0.598962064219 0.316881856645 0.438716538746} Si2 3 1
8 {} {0.547383711168 0.470181349354 0.392275737147} O2 4 1
8 {} {0.332159703759 0.365722789242 0.667444281632} O3 5 1
14 {} {0.287317140278 0.523828847482 0.688037980169} Si3 6 1
14 {} {0.501942650307 0.620339010198 0.436103668861} Si4 7 1
1 {} {0.32993828733 0.111424987547 0.660797456078} H1 8 1
1 {} {0.215323273261 0.234487784241 0.478394296879} H2 9 1
1 {} {0.666820868833 0.240883360985 0.327174717956} H3 10 1
1 {} {0.694382573229 0.329589768147 0.554457231738} H4 11 1
1 {} {0.136855057211 0.516044572417 0.704985587439} H5 12 1
1 {} {0.339935205654 0.554839100006 0.82392962823} H6 13 1
1 {} {0.348791822364 0.791541767154 0.424401698584} H7 14 1
1 {} {0.532075558012 0.685228698245 0.297320734223} H8 15 1
1 {} {0.590663770763 0.680484511783 0.53340346848} H10 16 1
8 {} {0.352112335641 0.611864026946 0.56030326871} O 17 1
1 {} {0.334464712919 0.759407376783 0.487951161152} 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