./iterations/neb0_image08_iter194.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 {} {0.471130687332 0.227686264519 0.493230672832} O1 1 1
14 {} {0.330086574406 0.219998201752 0.576500521828} Si1 2 1
14 {} {0.612220452494 0.299052846105 0.449896703603} Si2 3 1
8 {} {0.58955759853 0.457475726255 0.413484259489} O2 4 1
8 {} {0.313850622934 0.34843051157 0.678443343406} O3 5 1
14 {} {0.300440069343 0.512289120251 0.671753574934} Si3 6 1
14 {} {0.512416961106 0.597768417248 0.449808125337} Si4 7 1
1 {} {0.331134581095 0.0970499794124 0.659868614751} H1 8 1
1 {} {0.218363720723 0.220909836486 0.478145102833} H2 9 1
1 {} {0.663543581915 0.231022847584 0.328445165851} H3 10 1
1 {} {0.708118844844 0.290570542191 0.563393766755} H4 11 1
1 {} {0.156816183742 0.550206903451 0.66174379831} H5 12 1
1 {} {0.363644542854 0.568090553682 0.794455157964} H6 13 1
1 {} {0.314457224353 0.898934143796 0.469900190438} H7 14 1
1 {} {0.471142194628 0.660806004719 0.321886713025} H8 15 1
1 {} {0.604253941215 0.685046079449 0.528075040576} H10 16 1
8 {} {0.377112315277 0.568449439635 0.537834347584} O 17 1
1 {} {0.271796162323 0.838730448853 0.454192679036} 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