./iterations/neb0_image08_iter227.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 {} {0.471889379769 0.225448903031 0.493169540393} O1 1 1
14 {} {0.33072465545 0.219005114508 0.576589930952} Si1 2 1
14 {} {0.613417677078 0.297371976222 0.451124057575} Si2 3 1
8 {} {0.592301077574 0.45673657311 0.417155493754} O2 4 1
8 {} {0.313329312753 0.349033754009 0.676556988981} O3 5 1
14 {} {0.300394685211 0.513234385923 0.669392228001} Si3 6 1
14 {} {0.511883623122 0.596683509103 0.448539901457} Si4 7 1
1 {} {0.331741167683 0.0971241967376 0.661319610725} H1 8 1
1 {} {0.219174705876 0.216498000048 0.478049800193} H2 9 1
1 {} {0.663236064796 0.230224416682 0.328346960937} H3 10 1
1 {} {0.709994036349 0.285480368136 0.564317118352} H4 11 1
1 {} {0.157327325162 0.552589827392 0.659580280418} H5 12 1
1 {} {0.365487749901 0.568486042212 0.791459578773} H6 13 1
1 {} {0.311703063477 0.907807453162 0.47360540041} H7 14 1
1 {} {0.471817819056 0.654697218757 0.317919956219} H8 15 1
1 {} {0.600351412601 0.686440757535 0.527568193524} H10 16 1
8 {} {0.374765012358 0.570142500152 0.534376555935} O 17 1
1 {} {0.270547493902 0.845512872178 0.461986133053} 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