./iterations/neb0_image05_iter117.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 {} {0.471584139869 0.228138829533 0.489482147329} O1 1 1
14 {} {0.330442983067 0.224091858519 0.572049313476} Si1 2 1
14 {} {0.593765034287 0.332722307647 0.44990178512} Si2 3 1
8 {} {0.534159871629 0.483696985135 0.430601708887} O2 4 1
8 {} {0.322434826607 0.357967358162 0.669998772988} O3 5 1
14 {} {0.284984997197 0.515869537641 0.676490853513} Si3 6 1
14 {} {0.508887617473 0.651612962651 0.428182292124} Si4 7 1
1 {} {0.329431987123 0.103454913242 0.659628292983} H1 8 1
1 {} {0.21231344256 0.224730993983 0.479314461023} H2 9 1
1 {} {0.649100773743 0.27737507135 0.323876237879} H3 10 1
1 {} {0.696535137416 0.327184310291 0.558459533328} H4 11 1
1 {} {0.13808804545 0.533699850851 0.687974235768} H5 12 1
1 {} {0.36043945336 0.577549975915 0.787840234611} H6 13 1
1 {} {0.415737411912 0.776751347236 0.44401882705} H7 14 1
1 {} {0.522272472892 0.674997755223 0.279685735565} H8 15 1
1 {} {0.612942185046 0.698096533186 0.527991770374} H10 16 1
8 {} {0.328652558927 0.595194686635 0.534037743295} O 17 1
1 {} {0.298313130849 0.689382638027 0.531524059748} 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