./iterations/neb0_image09_iter284.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 {} {0.472765296716 0.21059455886 0.49508649556} O1 1 1
14 {} {0.333468124897 0.214171038615 0.582214358899} Si1 2 1
14 {} {0.606731957811 0.29273033702 0.44770284161} Si2 3 1
8 {} {0.571451756528 0.449022095301 0.412341847996} O2 4 1
8 {} {0.322708105125 0.352199359206 0.671035056831} O3 5 1
14 {} {0.300520214749 0.515184487821 0.669620395026} Si3 6 1
14 {} {0.512454065361 0.596890755261 0.452424039543} Si4 7 1
1 {} {0.334074233346 0.100320731152 0.677182645682} H1 8 1
1 {} {0.219150528884 0.207964591628 0.487178618756} H2 9 1
1 {} {0.657991304869 0.229236175556 0.323877106128} H3 10 1
1 {} {0.707329062626 0.289238272649 0.55740544369} H4 11 1
1 {} {0.155270281702 0.546118283665 0.660357279045} H5 12 1
1 {} {0.361126144722 0.568643487834 0.794545288864} H6 13 1
1 {} {0.312831592751 0.919506131056 0.438455078829} H7 14 1
1 {} {0.47940448894 0.66916024611 0.327145100745} H8 15 1
1 {} {0.614534004547 0.66932427334 0.53312509974} H10 16 1
8 {} {0.373196453936 0.583180694252 0.5393610294} O 17 1
1 {} {0.275078603713 0.859032360807 0.461999924016} 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