./iterations/neb0_image02_iter42.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.467558045031 0.237506408473 0.475261758563} O1 1 1
14 {} {0.329402168586 0.24542892263 0.562579939287} Si1 2 1
14 {} {0.595450504445 0.330912086565 0.432342002714} Si2 3 1
8 {} {0.543364409456 0.474989316595 0.374459372716} O2 4 1
8 {} {0.334298593855 0.377828718597 0.659734478679} O3 5 1
14 {} {0.268917879847 0.516551755592 0.715648048442} Si3 6 1
14 {} {0.529328329266 0.63902508595 0.379098756138} Si4 7 1
1 {} {0.322403183235 0.123437058249 0.646054367104} H1 8 1
1 {} {0.214546586379 0.252928767391 0.469357092781} H2 9 1
1 {} {0.667734727578 0.257181830118 0.326161434512} H3 10 1
1 {} {0.684203013822 0.351037842839 0.550127524864} H4 11 1
1 {} {0.123300619576 0.499255625392 0.737099282136} H5 12 1
1 {} {0.340849108507 0.549094738393 0.842210566525} H6 13 1
1 {} {0.387325208174 0.677246063447 0.358678045577} H7 14 1
1 {} {0.612851537829 0.701249134561 0.270337937307} H8 15 1
1 {} {0.57063254219 0.689020183152 0.515440002233} H10 16 1
8 {} {0.280924241038 0.635297708073 0.602442508715} O 17 1
1 {} {0.336995451266 0.714526711458 0.614024869342} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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