./iterations/neb0_image06_iter268.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.470924549364 0.246365703939 0.490933648351} O1 1 1
14 {} {0.326092392449 0.219373720549 0.561589091572} Si1 2 1
14 {} {0.608188014678 0.332609124757 0.468093368734} Si2 3 1
8 {} {0.581291945648 0.487565699451 0.514991313372} O2 4 1
8 {} {0.2673365716 0.353332288521 0.636419382968} O3 5 1
14 {} {0.278496923549 0.516525410129 0.653568095556} Si3 6 1
14 {} {0.492678723806 0.613351993239 0.456597372996} Si4 7 1
1 {} {0.339091832274 0.115436660221 0.667632164077} H1 8 1
1 {} {0.233853681692 0.17964791607 0.452572095866} H2 9 1
1 {} {0.642881504034 0.334023012518 0.323076532895} H3 10 1
1 {} {0.716955841424 0.278927612937 0.554158191881} H4 11 1
1 {} {0.1445094962 0.557082526849 0.711288371591} H5 12 1
1 {} {0.382514381097 0.566246088018 0.748682382849} H6 13 1
1 {} {0.394905070381 0.796670766699 0.508946815876} H7 14 1
1 {} {0.475213232684 0.620296027519 0.308733993685} H8 15 1
1 {} {0.595526226727 0.72275082655 0.480625911535} H10 16 1
8 {} {0.328092265008 0.577545730914 0.507984970681} O 17 1
1 {} {0.331533378975 0.754766988373 0.485164580377} 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