./iterations/neb0_image09_iter45.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.471920375634 0.212002071451 0.494296528441} O1 1 1
14 {} {0.336183446991 0.216015290975 0.586105923238} Si1 2 1
14 {} {0.602720763345 0.298929217761 0.445026987362} Si2 3 1
8 {} {0.559794094702 0.45123398935 0.402063490517} O2 4 1
8 {} {0.329629921541 0.355491531233 0.674632245276} O3 5 1
14 {} {0.29652784018 0.51631989388 0.668865030629} Si3 6 1
14 {} {0.507454517614 0.599292162137 0.450798597346} Si4 7 1
1 {} {0.341102175536 0.103576125627 0.682653084913} H1 8 1
1 {} {0.217675115581 0.208713788259 0.496165804595} H2 9 1
1 {} {0.658424418783 0.231208821072 0.325384676639} H3 10 1
1 {} {0.702460578641 0.308091203097 0.555489249927} H4 11 1
1 {} {0.149427184737 0.537927725696 0.656977923756} H5 12 1
1 {} {0.349848945301 0.57646392057 0.794455843279} H6 13 1
1 {} {0.323734061433 0.878152344128 0.412141060076} H7 14 1
1 {} {0.478735478539 0.676390840039 0.327870676419} H8 15 1
1 {} {0.610201734208 0.664629938106 0.536417561961} H10 16 1
8 {} {0.366997947956 0.585732301565 0.538849955073} O 17 1
1 {} {0.307247562189 0.852346779546 0.482863357432} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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