./iterations/neb0_image07_iter89.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.470549988706 0.221033733347 0.489532896092} O1 1 1
14 {} {0.331375279814 0.223557635317 0.577434551496} Si1 2 1
14 {} {0.59996167898 0.312686642733 0.444864741591} Si2 3 1
8 {} {0.555411257987 0.464143870356 0.402896303031} O2 4 1
8 {} {0.327237422038 0.353418159803 0.679746108416} O3 5 1
14 {} {0.298605142585 0.515736501153 0.677938425425} Si3 6 1
14 {} {0.503857806396 0.611078547695 0.453310788216} Si4 7 1
1 {} {0.326748465036 0.1005198098 0.661426686335} H1 8 1
1 {} {0.216045773718 0.231252395069 0.482253096167} H2 9 1
1 {} {0.660122129373 0.256161437496 0.321963507186} H3 10 1
1 {} {0.693537156681 0.321400448857 0.560370189668} H4 11 1
1 {} {0.152200658938 0.540908139317 0.668338884831} H5 12 1
1 {} {0.354950518209 0.569310360518 0.804593900796} H6 13 1
1 {} {0.351929045154 0.820418019209 0.426223191755} H7 14 1
1 {} {0.482874336937 0.682849942459 0.325085547331} H8 15 1
1 {} {0.605829625913 0.682862471593 0.536153129602} H10 16 1
8 {} {0.369529612648 0.58650336838 0.547407195756} O 17 1
1 {} {0.309320228124 0.778676484465 0.47151880108} 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