./iterations/neb0_image03_iter174.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.460168679843 0.261144998892 0.493519306007} O1 1 1
14 {} {0.324890935684 0.235568782119 0.582386958311} Si1 2 1
14 {} {0.583255142282 0.349915542196 0.431901418866} Si2 3 1
8 {} {0.529485494423 0.493406896876 0.372998107673} O2 4 1
8 {} {0.307873365275 0.349902781067 0.70053589228} O3 5 1
14 {} {0.26240013465 0.504328505509 0.731266636584} Si3 6 1
14 {} {0.557803526876 0.655080222623 0.363817664125} Si4 7 1
1 {} {0.338321236954 0.102735086751 0.64851113313} H1 8 1
1 {} {0.205927321765 0.23968830931 0.491991540757} H2 9 1
1 {} {0.639717478716 0.271839561923 0.319386905694} H3 10 1
1 {} {0.683488758382 0.37489295091 0.539041907217} H4 11 1
1 {} {0.113127599936 0.515675813336 0.727935165679} H5 12 1
1 {} {0.319752264207 0.536948787755 0.864690344068} H6 13 1
1 {} {0.431811427586 0.725034882711 0.326088249102} H7 14 1
1 {} {0.660544187501 0.680704994979 0.259377013609} H8 15 1
1 {} {0.607784025689 0.707755691368 0.493543457444} H10 16 1
8 {} {0.324320537756 0.608997593763 0.618182079123} O 17 1
1 {} {0.259414086252 0.658896654719 0.565884022868} 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