./iterations/neb0_image09_iter290.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 {} {0.472541597325 0.210308621482 0.495342429408} O1 1 1
14 {} {0.333422793712 0.214280851283 0.582541105685} Si1 2 1
14 {} {0.606821319723 0.292455254768 0.447880150929} Si2 3 1
8 {} {0.571238345735 0.448878305918 0.413650346363} O2 4 1
8 {} {0.322862404651 0.352919350067 0.670128530099} O3 5 1
14 {} {0.300353793297 0.515417857861 0.669283535377} Si3 6 1
14 {} {0.512339623591 0.596858437003 0.452332719546} Si4 7 1
1 {} {0.334058316252 0.100971660176 0.678292060256} H1 8 1
1 {} {0.219312940742 0.207086510074 0.487548288112} H2 9 1
1 {} {0.657826021527 0.229288850286 0.323648508374} H3 10 1
1 {} {0.707513546666 0.288421754951 0.557743768217} H4 11 1
1 {} {0.15507495757 0.546277127309 0.660532863972} H5 12 1
1 {} {0.361350002246 0.569365858581 0.793838056755} H6 13 1
1 {} {0.312895722008 0.919665573102 0.438586113898} H7 14 1
1 {} {0.480423220902 0.668341547273 0.326073707539} H8 15 1
1 {} {0.614077393419 0.669741600138 0.53326032321} H10 16 1
8 {} {0.373171370874 0.583900333489 0.538272837694} O 17 1
1 {} {0.274802868797 0.858338376919 0.462102305598} 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