./iterations/neb0_image07_iter244.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 {} {0.476079897568 0.222357810438 0.499200469174} O1 1 1
14 {} {0.335888604006 0.213799375139 0.583676948193} Si1 2 1
14 {} {0.615427811192 0.29644981329 0.454610018314} Si2 3 1
8 {} {0.591178361431 0.456388623823 0.427964544358} O2 4 1
8 {} {0.311891220296 0.350906095714 0.670972435363} O3 5 1
14 {} {0.291199303906 0.512061564163 0.64693937059} Si3 6 1
14 {} {0.497232289283 0.590271157708 0.430762191088} Si4 7 1
1 {} {0.342341115028 0.100933706366 0.679247768547} H1 8 1
1 {} {0.224706758346 0.195742369892 0.485858575557} H2 9 1
1 {} {0.659850246702 0.232930782918 0.3282992238} H3 10 1
1 {} {0.717230684538 0.284122204551 0.562178998891} H4 11 1
1 {} {0.147153061918 0.546652904495 0.646522833956} H5 12 1
1 {} {0.365238231111 0.579763016662 0.756686256914} H6 13 1
1 {} {0.339474417623 0.928396498187 0.503847338453} H7 14 1
1 {} {0.470159590174 0.635001754772 0.292126330667} H8 15 1
1 {} {0.563996163922 0.694976278141 0.513078803953} H10 16 1
8 {} {0.350209847971 0.556132768665 0.500779229303} O 17 1
1 {} {0.310828249291 0.875631101428 0.548306396365} 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