./iterations/neb0_image06_iter146.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.472570363478 0.232078767738 0.482929338861} O1 1 1
14 {} {0.332338652366 0.222007341219 0.568016216361} Si1 2 1
14 {} {0.607008841421 0.320300930139 0.450000313039} Si2 3 1
8 {} {0.57669766987 0.477280343306 0.436454594199} O2 4 1
8 {} {0.30814639877 0.352188694265 0.665901833296} O3 5 1
14 {} {0.282576810295 0.513661723436 0.661477517132} Si3 6 1
14 {} {0.483458538646 0.610240569216 0.44750879932} Si4 7 1
1 {} {0.332977956952 0.10668976497 0.662409771176} H1 8 1
1 {} {0.221642739347 0.215717350592 0.468725830534} H2 9 1
1 {} {0.66103058794 0.274791267482 0.321469422584} H3 10 1
1 {} {0.70373755367 0.30744822207 0.559460758156} H4 11 1
1 {} {0.138156727429 0.537072991503 0.697256290101} H5 12 1
1 {} {0.370845588484 0.58811812595 0.755764997014} H6 13 1
1 {} {0.395435832667 0.814214861486 0.500223655367} H7 14 1
1 {} {0.474760158188 0.662796527876 0.308610602222} H8 15 1
1 {} {0.584776201161 0.696754092123 0.520296291035} H10 16 1
8 {} {0.331689136968 0.569270982901 0.510635274868} O 17 1
1 {} {0.332236229814 0.771885287434 0.513916489866} 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
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
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 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 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