./iterations/neb0_image07_iter209.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 {} {0.474188451033 0.230786027197 0.495300910581} O1 1 1
14 {} {0.33393422698 0.217565337384 0.580968636248} Si1 2 1
14 {} {0.6164013755 0.300817096679 0.452251267799} Si2 3 1
8 {} {0.599231642259 0.461826685112 0.42344910032} O2 4 1
8 {} {0.307340205598 0.348392788281 0.677620188079} O3 5 1
14 {} {0.290397235641 0.510536179317 0.651638138734} Si3 6 1
14 {} {0.49569105531 0.589399221844 0.434194130617} Si4 7 1
1 {} {0.344773408366 0.0985570543582 0.669196126703} H1 8 1
1 {} {0.221766120288 0.206000845042 0.482638653322} H2 9 1
1 {} {0.661348275371 0.233814782155 0.326905685407} H3 10 1
1 {} {0.71510705417 0.286552278545 0.563002941095} H4 11 1
1 {} {0.147454482358 0.550355483402 0.650025594769} H5 12 1
1 {} {0.368381856128 0.580893983644 0.757058247832} H6 13 1
1 {} {0.343098323917 0.91886802926 0.504250549374} H7 14 1
1 {} {0.467799150912 0.636906379623 0.295684942364} H8 15 1
1 {} {0.557336452942 0.692879053016 0.522495621552} H10 16 1
8 {} {0.350454606006 0.546960020897 0.502166581574} O 17 1
1 {} {0.315381995711 0.861406568866 0.542210474871} 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