./iterations/neb0_image07_iter41.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.469627094625 0.222066445789 0.482855225979} O1 1 1
14 {} {0.33264461017 0.226451830351 0.571322593253} Si1 2 1
14 {} {0.598764055763 0.313021226204 0.441967830821} Si2 3 1
8 {} {0.547319000181 0.461994552709 0.399915896407} O2 4 1
8 {} {0.333367568545 0.357977318828 0.670097635074} O3 5 1
14 {} {0.296733340092 0.515368975387 0.679322162643} Si3 6 1
14 {} {0.500599601397 0.610192785834 0.453974405958} Si4 7 1
1 {} {0.329515814276 0.109726246131 0.659809777384} H1 8 1
1 {} {0.21623099833 0.233582476242 0.480612828104} H2 9 1
1 {} {0.663410838012 0.248373716595 0.327345900244} H3 10 1
1 {} {0.69323031463 0.329472352805 0.553862311055} H4 11 1
1 {} {0.148635310729 0.531627416901 0.684503508196} H5 12 1
1 {} {0.347578824619 0.567512374197 0.809353622382} H6 13 1
1 {} {0.343367491598 0.808064857785 0.416171223521} H7 14 1
1 {} {0.493823257137 0.682856427172 0.321575613404} H8 15 1
1 {} {0.60072717681 0.681789121346 0.541814141488} H10 16 1
8 {} {0.364459461775 0.589965843006 0.548804235955} O 17 1
1 {} {0.330051391965 0.782473998694 0.487749074375} 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