./iterations/neb0_image02_iter43.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.467523316893 0.237274133602 0.475287120703} O1 1 1
14 {} {0.329359028541 0.24531036538 0.562632059758} Si1 2 1
14 {} {0.595403469809 0.330926785616 0.432301965688} Si2 3 1
8 {} {0.543460743002 0.474956579659 0.374421157289} O2 4 1
8 {} {0.334344770101 0.377671381134 0.659806496476} O3 5 1
14 {} {0.268699194469 0.516824034985 0.715329265151} Si3 6 1
14 {} {0.529629707351 0.638971825439 0.379348814792} Si4 7 1
1 {} {0.322502232877 0.123391109176 0.646338218033} H1 8 1
1 {} {0.214344742618 0.252885709096 0.469402193566} H2 9 1
1 {} {0.667599283675 0.257572379693 0.325671176071} H3 10 1
1 {} {0.684140687296 0.351515121709 0.550223402942} H4 11 1
1 {} {0.12296797811 0.499206585897 0.737155643553} H5 12 1
1 {} {0.340857211929 0.549753695035 0.841767954088} H6 13 1
1 {} {0.387047750748 0.677023190142 0.358620870746} H7 14 1
1 {} {0.612903356536 0.700841815464 0.270972608914} H8 15 1
1 {} {0.571170173399 0.689205721263 0.514986855903} H10 16 1
8 {} {0.28066808168 0.634514685072 0.602492023167} O 17 1
1 {} {0.337464420652 0.714672837868 0.614300160247} 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