./iterations/neb0_image08_iter61.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471724448264 0.215682164688 0.487714542423} O1 1 1
14 {} {0.334245010207 0.221116438506 0.578025642049} Si1 2 1
14 {} {0.601722824501 0.306668792129 0.44367342223} Si2 3 1
8 {} {0.556046497859 0.458529099139 0.401770896841} O2 4 1
8 {} {0.331737104854 0.355088839168 0.673961400325} O3 5 1
14 {} {0.29767751161 0.515955128568 0.674835167468} Si3 6 1
14 {} {0.502973123519 0.60456516776 0.454130287278} Si4 7 1
1 {} {0.332095432542 0.102491372303 0.667441153266} H1 8 1
1 {} {0.216899451672 0.224315205868 0.485706175823} H2 9 1
1 {} {0.662529199992 0.242918032134 0.324367561045} H3 10 1
1 {} {0.696868486426 0.318478799403 0.55776178596} H4 11 1
1 {} {0.151078422451 0.537654055074 0.665551774867} H5 12 1
1 {} {0.354758279028 0.573910564856 0.799017231212} H6 13 1
1 {} {0.333103277704 0.835779727933 0.415632089681} H7 14 1
1 {} {0.475186735624 0.68302204711 0.331562204941} H8 15 1
1 {} {0.605636427085 0.670563528798 0.539592919222} H10 16 1
8 {} {0.366351905866 0.587404519766 0.543645576176} O 17 1
1 {} {0.319451983833 0.818374484338 0.486668165983} 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
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 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 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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