./iterations/neb0_image09_iter100.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472052814325 0.213787596767 0.494718198138} O1 1 1
14 {} {0.3355093463 0.216161108967 0.586034206233} Si1 2 1
14 {} {0.603157839764 0.299460346722 0.444883045446} Si2 3 1
8 {} {0.561194878945 0.452176187009 0.400975348564} O2 4 1
8 {} {0.327903053619 0.353938788109 0.676148997052} O3 5 1
14 {} {0.296732557626 0.515345430238 0.669955833994} Si3 6 1
14 {} {0.507159267615 0.599155105557 0.45075839508} Si4 7 1
1 {} {0.339463779625 0.101655912255 0.680320455089} H1 8 1
1 {} {0.218199892098 0.209887892627 0.494500170913} H2 9 1
1 {} {0.659073124894 0.232353457895 0.325024406223} H3 10 1
1 {} {0.70198213209 0.306132424629 0.55638861592} H4 11 1
1 {} {0.150269680191 0.53813939018 0.656523091} H5 12 1
1 {} {0.351423008101 0.575462558081 0.794627498141} H6 13 1
1 {} {0.323235162301 0.880466340198 0.414120123774} H7 14 1
1 {} {0.476439519267 0.678766501204 0.329736875291} H8 15 1
1 {} {0.611720417587 0.663689735203 0.534993202525} H10 16 1
8 {} {0.368841247941 0.583846481945 0.539364603627} O 17 1
1 {} {0.305728449298 0.852092705016 0.481984896298} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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