./iterations/neb0_image08_iter237.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.472321977658 0.22494675447 0.493354444713} O1 1 1
14 {} {0.331180248654 0.218872648938 0.576840166118} Si1 2 1
14 {} {0.613624873911 0.296980687524 0.451657426991} Si2 3 1
8 {} {0.591775638932 0.45631385793 0.419185431196} O2 4 1
8 {} {0.313651488917 0.349531042844 0.675483229895} O3 5 1
14 {} {0.300482063927 0.513461428608 0.668095198031} Si3 6 1
14 {} {0.511470301571 0.596373678697 0.447597982037} Si4 7 1
1 {} {0.332005478177 0.0976333183177 0.662202535598} H1 8 1
1 {} {0.219762098619 0.214787705101 0.478283455012} H2 9 1
1 {} {0.663035122743 0.230337821304 0.328763889242} H3 10 1
1 {} {0.710177077124 0.283576251192 0.564228510195} H4 11 1
1 {} {0.157434136773 0.552569361637 0.659183719642} H5 12 1
1 {} {0.365749608334 0.568380594532 0.790008398841} H6 13 1
1 {} {0.311465849487 0.910140240256 0.473667366308} H7 14 1
1 {} {0.472299797605 0.653817188574 0.317099561813} H8 15 1
1 {} {0.59897047712 0.686415685433 0.526596711002} H10 16 1
8 {} {0.373545329508 0.570906605347 0.532694520417} O 17 1
1 {} {0.271134687379 0.847473003794 0.466115175274} 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