./iterations/neb0_image01_iter15.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.467584155679 0.243388561763 0.471496680472} O1 1 1
14 {} {0.3276146284 0.250608977894 0.556764935791} Si1 2 1
14 {} {0.602093077146 0.330097758387 0.431505613829} Si2 3 1
8 {} {0.559904503297 0.47535092048 0.365960901035} O2 4 1
8 {} {0.331993259362 0.378447017124 0.658208648033} O3 5 1
14 {} {0.266913175132 0.512744536401 0.72856842973} Si3 6 1
14 {} {0.525933207278 0.637509519451 0.370893380316} Si4 7 1
1 {} {0.316760527558 0.126330830188 0.638226550709} H1 8 1
1 {} {0.21363993922 0.264074995129 0.461343435109} H2 9 1
1 {} {0.675155125086 0.248902111399 0.329935344897} H3 10 1
1 {} {0.685008988418 0.350151942991 0.554471569381} H4 11 1
1 {} {0.121416591792 0.488383325728 0.747703635895} H5 12 1
1 {} {0.34182148298 0.531613646078 0.85604594018} H6 13 1
1 {} {0.388051567507 0.683658047609 0.336669297322} H7 14 1
1 {} {0.613222657876 0.704452834427 0.271544284635} H8 15 1
1 {} {0.559280707394 0.68916203067 0.507578481412} H10 16 1
8 {} {0.27321698933 0.646910173779 0.62832903237} O 17 1
1 {} {0.340475551947 0.710730723276 0.615811832033} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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