./iterations/neb0_image01_iter253.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 {} {0.462611651798 0.259693593779 0.4797428891} O1 1 1
14 {} {0.327308683661 0.249184532698 0.571565168772} Si1 2 1
14 {} {0.59560343108 0.338665265623 0.426139719813} Si2 3 1
8 {} {0.55493338735 0.47788177245 0.349530992931} O2 4 1
8 {} {0.321652192618 0.369701990899 0.683028266804} O3 5 1
14 {} {0.253876626812 0.51122869539 0.732926263033} Si3 6 1
14 {} {0.540305497299 0.641488486627 0.358665024061} Si4 7 1
1 {} {0.331903648383 0.119687175066 0.644193056613} H1 8 1
1 {} {0.208504534604 0.258320309377 0.482286692661} H2 9 1
1 {} {0.662766520918 0.251377642902 0.326851473514} H3 10 1
1 {} {0.682728240401 0.371747636985 0.542316636277} H4 11 1
1 {} {0.107075643171 0.494179209325 0.74701216314} H5 12 1
1 {} {0.32113920728 0.546967712725 0.860828254005} H6 13 1
1 {} {0.406986296716 0.681108676514 0.305928452908} H7 14 1
1 {} {0.649713628782 0.705930742752 0.280626615196} H8 15 1
1 {} {0.552530444427 0.686931886736 0.501199353228} H10 16 1
8 {} {0.27170394365 0.632858889658 0.622576918663} O 17 1
1 {} {0.358742320878 0.675563492642 0.615639949279} 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