./iterations/neb0_image08_iter158.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 {} {0.470618341857 0.228526508216 0.493331625793} O1 1 1
14 {} {0.329961635094 0.220154972587 0.576862309442} Si1 2 1
14 {} {0.611254052961 0.301542136809 0.449599148472} Si2 3 1
8 {} {0.586125248154 0.459409500487 0.409804126209} O2 4 1
8 {} {0.317090292718 0.348433628456 0.679790468201} O3 5 1
14 {} {0.30131874553 0.511995412843 0.673322301781} Si3 6 1
14 {} {0.511102439528 0.600384659643 0.450787127805} Si4 7 1
1 {} {0.329180744859 0.0955636859802 0.657654468447} H1 8 1
1 {} {0.218361656158 0.223203187622 0.478814487399} H2 9 1
1 {} {0.662846459951 0.230072592706 0.329814682078} H3 10 1
1 {} {0.707451252966 0.292505646246 0.563720545683} H4 11 1
1 {} {0.157285747882 0.548613486149 0.659332775898} H5 12 1
1 {} {0.364436603286 0.568400057842 0.796434063662} H6 13 1
1 {} {0.319261517901 0.88963012911 0.461625022071} H7 14 1
1 {} {0.464839477912 0.67021507026 0.327489956664} H8 15 1
1 {} {0.607385928917 0.68251301501 0.529854694089} H10 16 1
8 {} {0.377264927977 0.570904647134 0.539990683466} O 17 1
1 {} {0.274301169798 0.830449539222 0.452829318637} 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