./iterations/neb0_image03_iter45.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.468283995109 0.231286553199 0.479931141047} O1 1 1
14 {} {0.330706530181 0.239453234259 0.568252980777} Si1 2 1
14 {} {0.591004194788 0.330714101301 0.434950901373} Si2 3 1
8 {} {0.531125356015 0.47519943654 0.386184366016} O2 4 1
8 {} {0.332958131936 0.374397247907 0.661204921128} O3 5 1
14 {} {0.273316654025 0.519821460179 0.706736319069} Si3 6 1
14 {} {0.526408843425 0.640733646169 0.389932973007} Si4 7 1
1 {} {0.328307922501 0.121527684133 0.657871483975} H1 8 1
1 {} {0.213864783349 0.24037708557 0.476565951817} H2 9 1
1 {} {0.660006911169 0.261969589994 0.323181980735} H3 10 1
1 {} {0.685852044231 0.347342249747 0.549210675145} H4 11 1
1 {} {0.125114334956 0.514943360334 0.719566017953} H5 12 1
1 {} {0.339410082828 0.559489733081 0.833802197847} H6 13 1
1 {} {0.389299460821 0.694325999421 0.378432150429} H7 14 1
1 {} {0.601321856561 0.693398723852 0.270174650863} H8 15 1
1 {} {0.585875950317 0.689088531788 0.520009593418} H10 16 1
8 {} {0.314457227565 0.620020841079 0.583961218006} O 17 1
1 {} {0.31277183349 0.718428489967 0.591088461957} 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