./iterations/neb0_image09_iter98.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472155402395 0.213684440498 0.494742454307} O1 1 1
14 {} {0.335471388738 0.216288163603 0.586205904901} Si1 2 1
14 {} {0.603122437605 0.299386907322 0.44493515038} Si2 3 1
8 {} {0.561119849844 0.452229354237 0.40086477565} O2 4 1
8 {} {0.328015506102 0.353894519979 0.676141445878} O3 5 1
14 {} {0.296520011794 0.515363551646 0.670141812559} Si3 6 1
14 {} {0.506952128876 0.599156925284 0.450796657691} Si4 7 1
1 {} {0.339556426686 0.101744150522 0.680471953686} H1 8 1
1 {} {0.218189616323 0.209775389441 0.494547466224} H2 9 1
1 {} {0.659091431243 0.232401311422 0.325047439419} H3 10 1
1 {} {0.701989393792 0.30599796082 0.556425364073} H4 11 1
1 {} {0.150213170174 0.538079113574 0.656512851153} H5 12 1
1 {} {0.351367398857 0.575486784374 0.794560834416} H6 13 1
1 {} {0.32328568167 0.88025090018 0.41396948803} H7 14 1
1 {} {0.476520810567 0.678829062292 0.329613712582} H8 15 1
1 {} {0.611731170012 0.663683474849 0.535019652014} H10 16 1
8 {} {0.368906520002 0.584192029266 0.538987559541} O 17 1
1 {} {0.305877827278 0.852073922104 0.482073439508} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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