./iterations/neb0_image07_iter35.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 {} {0.469823050464 0.223664361219 0.483155472246} O1 1 1
14 {} {0.332862204443 0.228814731996 0.573129071069} Si1 2 1
14 {} {0.598941982962 0.313957039529 0.440899911872} Si2 3 1
8 {} {0.546275763801 0.463696273227 0.39951513005} O2 4 1
8 {} {0.332816118984 0.359011674068 0.668514979578} O3 5 1
14 {} {0.295545645931 0.518494144761 0.678683559585} Si3 6 1
14 {} {0.500343370208 0.61077947189 0.452247544579} Si4 7 1
1 {} {0.330200148097 0.109964598413 0.661095787961} H1 8 1
1 {} {0.216346129077 0.23267897067 0.481053235773} H2 9 1
1 {} {0.664099502817 0.245026208335 0.32806283992} H3 10 1
1 {} {0.6936700064 0.328229924362 0.553375578822} H4 11 1
1 {} {0.1484193217 0.527940495863 0.688801689053} H5 12 1
1 {} {0.344391541264 0.564134381829 0.810249043291} H6 13 1
1 {} {0.341809904622 0.806985669598 0.417830487138} H7 14 1
1 {} {0.50013858419 0.68121020375 0.319128073015} H8 15 1
1 {} {0.598768826575 0.680573013547 0.539391360689} H10 16 1
8 {} {0.365212028818 0.589891492872 0.547949598083} O 17 1
1 {} {0.330422022192 0.787465312994 0.487974629886} 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