./iterations/neb0_image05_iter235.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.473394832276 0.254121923693 0.491527342938} O1 1 1
14 {} {0.325746837921 0.229102891532 0.559789027715} Si1 2 1
14 {} {0.606340196482 0.346688810307 0.469956449685} Si2 3 1
8 {} {0.573782425975 0.502870851996 0.509589432191} O2 4 1
8 {} {0.271322426134 0.36583799761 0.630055029867} O3 5 1
14 {} {0.236521580301 0.523358590901 0.6604820341} Si3 6 1
14 {} {0.570970142664 0.657482177387 0.450434498185} Si4 7 1
1 {} {0.338098249317 0.12310598944 0.663586178419} H1 8 1
1 {} {0.231327523457 0.183615486802 0.4535167211} H2 9 1
1 {} {0.648084404767 0.335172208681 0.326831028448} H3 10 1
1 {} {0.713395262438 0.293376135328 0.559267348034} H4 11 1
1 {} {0.137258460252 0.527094893529 0.769270979929} H5 12 1
1 {} {0.363059342562 0.591821505902 0.694124815739} H6 13 1
1 {} {0.501415742301 0.745496682409 0.547906516431} H7 14 1
1 {} {0.492138795164 0.654621289834 0.323015048326} H8 15 1
1 {} {0.710293533646 0.707513057091 0.427586923219} H10 16 1
8 {} {0.174865678774 0.604734773945 0.530489051433} O 17 1
1 {} {0.242070586445 0.626502788306 0.463629764704} 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