./iterations/neb0_image07_iter23.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 {} {0.469899840525 0.224056478751 0.484429489423} O1 1 1
14 {} {0.332620369421 0.228597249022 0.575653479754} Si1 2 1
14 {} {0.600620637458 0.313457486043 0.439534799057} Si2 3 1
8 {} {0.550284322599 0.464770755627 0.395152301249} O2 4 1
8 {} {0.330997730203 0.363062012969 0.670904879967} O3 5 1
14 {} {0.292559249181 0.521031899872 0.679741211135} Si3 6 1
14 {} {0.499186130839 0.612362759412 0.444331704838} Si4 7 1
1 {} {0.332220294625 0.109283995008 0.665539630824} H1 8 1
1 {} {0.215513076978 0.229489205067 0.481648554768} H2 9 1
1 {} {0.665647202028 0.237371524691 0.326805680188} H3 10 1
1 {} {0.696426869143 0.324661135845 0.555090623722} H4 11 1
1 {} {0.141151388424 0.520786366697 0.694384238661} H5 12 1
1 {} {0.341985304172 0.559059567327 0.816424209484} H6 13 1
1 {} {0.339801117749 0.811845980986 0.413243848129} H7 14 1
1 {} {0.515187272717 0.68057249878 0.311839960172} H8 15 1
1 {} {0.595427003538 0.677008780675 0.533447362278} H10 16 1
8 {} {0.363315585047 0.597234581255 0.547789198475} O 17 1
1 {} {0.327242755038 0.797865684261 0.495096828704} 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