./iterations/neb0_image08_iter269.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 {} {0.47360246156 0.218307404824 0.493604011789} O1 1 1
14 {} {0.332593005809 0.21637112516 0.578090046636} Si1 2 1
14 {} {0.61303208737 0.294785587809 0.453249489019} Si2 3 1
8 {} {0.587997425003 0.454729543457 0.426515281785} O2 4 1
8 {} {0.315709097812 0.351940722599 0.669988090454} O3 5 1
14 {} {0.298710835304 0.515886376662 0.66225630358} Si3 6 1
14 {} {0.508698810248 0.596666832322 0.444881694015} Si4 7 1
1 {} {0.334243814778 0.099734463269 0.670602570162} H1 8 1
1 {} {0.221183578049 0.20801055186 0.478895158684} H2 9 1
1 {} {0.663488721103 0.233424034643 0.327346143595} H3 10 1
1 {} {0.710904249328 0.278351140615 0.564817444666} H4 11 1
1 {} {0.154380195826 0.551271008116 0.658343429907} H5 12 1
1 {} {0.36801039245 0.571751069207 0.781714190108} H6 13 1
1 {} {0.314054833599 0.916077805469 0.474686301496} H7 14 1
1 {} {0.473676099376 0.651595557329 0.311962081631} H8 15 1
1 {} {0.59524655875 0.688123064536 0.52338771467} H10 16 1
8 {} {0.365720111085 0.573779968946 0.5247828832} O 17 1
1 {} {0.278833912425 0.851711623036 0.485934905014} 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