./iterations/neb0_image08_iter43.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 {} {0.470714261215 0.216349708784 0.487868783521} O1 1 1
14 {} {0.334126125776 0.221099919771 0.577828953572} Si1 2 1
14 {} {0.601059702005 0.306029046162 0.44352038822} Si2 3 1
8 {} {0.554237796788 0.456848523879 0.400692924733} O2 4 1
8 {} {0.332405414032 0.356126855366 0.672674825129} O3 5 1
14 {} {0.297186343141 0.515691315188 0.673754362714} Si3 6 1
14 {} {0.50396233936 0.604934928869 0.452458404705} Si4 7 1
1 {} {0.334385300969 0.105885339655 0.669770886931} H1 8 1
1 {} {0.216625144602 0.222781353939 0.486986398996} H2 9 1
1 {} {0.661856985676 0.240391813518 0.325928527409} H3 10 1
1 {} {0.697804646751 0.319777601648 0.555469735342} H4 11 1
1 {} {0.149337638625 0.535726685859 0.6701476702} H5 12 1
1 {} {0.350460575718 0.572662667713 0.801075053067} H6 13 1
1 {} {0.332713304671 0.834682982949 0.415388661731} H7 14 1
1 {} {0.482266572864 0.680439145264 0.327145836158} H8 15 1
1 {} {0.605875189448 0.672904776129 0.540060989742} H10 16 1
8 {} {0.364771022804 0.588650102974 0.542397974919} O 17 1
1 {} {0.320297762045 0.82153520004 0.487887626786} 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