iterations/neb0_image05_iter20.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.469470764656 0.226263204059 0.482752551537} O1 1 1
14 {} {0.331640838928 0.232724594622 0.573722033132} Si1 2 1
14 {} {0.600999777953 0.315425673069 0.43836923641} Si2 3 1
8 {} {0.550280141224 0.468176246008 0.388618746428} O2 4 1
8 {} {0.331734303689 0.370117447982 0.66688334639} O3 5 1
14 {} {0.282399619597 0.526816298094 0.690658666379} Si3 6 1
14 {} {0.509190878116 0.631458450625 0.4148736309} Si4 7 1
1 {} {0.330707394011 0.112184582962 0.663285812796} H1 8 1
1 {} {0.214683261995 0.233213353718 0.478875808712} H2 9 1
1 {} {0.666730479509 0.23847477874 0.326900112994} H3 10 1
1 {} {0.695284441565 0.327970347996 0.555157369035} H4 11 1
1 {} {0.129685623302 0.512716719521 0.706537192093} H5 12 1
1 {} {0.341898543118 0.554052057666 0.829687945063} H6 13 1
1 {} {0.356870613043 0.783957614867 0.405071884526} H7 14 1
1 {} {0.547983257991 0.687714291245 0.285460069572} H8 15 1
1 {} {0.589379151378 0.678586956251 0.531682384887} H10 16 1
8 {} {0.333538641005 0.637165105101 0.569980155617} O 17 1
1 {} {0.327608411801 0.735500233016 0.522541047182} 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