./iterations/neb0_image08_iter57.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 {} {0.471688657185 0.214989770908 0.487387146624} O1 1 1
14 {} {0.334091868434 0.221019666848 0.578005513808} Si1 2 1
14 {} {0.60166508564 0.306661481304 0.443539465976} Si2 3 1
8 {} {0.555963460215 0.458441011472 0.401448914442} O2 4 1
8 {} {0.332081001477 0.355272443139 0.6740289077} O3 5 1
14 {} {0.297602194935 0.51629267484 0.674444750444} Si3 6 1
14 {} {0.502616865729 0.604708950769 0.454163035694} Si4 7 1
1 {} {0.332657589008 0.102928485877 0.66829303361} H1 8 1
1 {} {0.216307755682 0.223951302706 0.485638636153} H2 9 1
1 {} {0.662398537239 0.242287623639 0.32440232342} H3 10 1
1 {} {0.697325409183 0.319058436759 0.557543914814} H4 11 1
1 {} {0.150356802614 0.537443684492 0.666193815888} H5 12 1
1 {} {0.354188142667 0.573987933845 0.799461843031} H6 13 1
1 {} {0.33301984999 0.835086858544 0.415753535862} H7 14 1
1 {} {0.476588352561 0.682495875852 0.330927226041} H8 15 1
1 {} {0.605354140105 0.670823006974 0.539539694019} H10 16 1
8 {} {0.366216574988 0.588030073769 0.54346105569} O 17 1
1 {} {0.31996383726 0.819038681354 0.48682518569} 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