./iterations/neb0_image06_iter214.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 {} {0.47508790372 0.226859108977 0.486338043764} O1 1 1
14 {} {0.331005140321 0.216431704103 0.56581463793} Si1 2 1
14 {} {0.608588435457 0.319409446467 0.459569759819} Si2 3 1
8 {} {0.573434572731 0.477807357881 0.474624965777} O2 4 1
8 {} {0.298671754623 0.352310324209 0.651759177824} O3 5 1
14 {} {0.285491652906 0.515814183459 0.652091997171} Si3 6 1
14 {} {0.488106726432 0.613782159802 0.447806883885} Si4 7 1
1 {} {0.334288203883 0.103138944749 0.663801254166} H1 8 1
1 {} {0.224191384098 0.197209616864 0.463162404169} H2 9 1
1 {} {0.65219500822 0.295322069877 0.31973225906} H3 10 1
1 {} {0.713127724234 0.293581584942 0.562529010952} H4 11 1
1 {} {0.145865665493 0.547473197835 0.693875706845} H5 12 1
1 {} {0.382757149811 0.576763302977 0.745217382706} H6 13 1
1 {} {0.388445097284 0.809977460566 0.530046731469} H7 14 1
1 {} {0.468741883579 0.653777485546 0.306076401834} H8 15 1
1 {} {0.587925778946 0.71441514129 0.500824325959} H10 16 1
8 {} {0.33059911785 0.575898076761 0.504327002571} O 17 1
1 {} {0.321562734584 0.782546740683 0.503460167735} 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