iterations/neb0_image08_iter291.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.47422333628 0.212317503496 0.493974287478} O1 1 1
14 {} {0.334320200367 0.214084825096 0.579877013262} Si1 2 1
14 {} {0.610634586562 0.293284744192 0.453376252716} Si2 3 1
8 {} {0.581011887939 0.452832351578 0.430822636454} O2 4 1
8 {} {0.318478418076 0.3545374153 0.663100203905} O3 5 1
14 {} {0.296203138525 0.51700565069 0.657567485362} Si3 6 1
14 {} {0.504729319051 0.596920489261 0.443005509701} Si4 7 1
1 {} {0.336125907709 0.10472189735 0.679071717026} H1 8 1
1 {} {0.222962911644 0.200925644316 0.483304822731} H2 9 1
1 {} {0.663214384776 0.238514831513 0.325092239326} H3 10 1
1 {} {0.7095243049 0.279126593346 0.563987893257} H4 11 1
1 {} {0.150730657796 0.547569163645 0.659681351596} H5 12 1
1 {} {0.367244123118 0.577196423974 0.773734748604} H6 13 1
1 {} {0.318765876603 0.912648484599 0.469205622224} H7 14 1
1 {} {0.478093940455 0.649485033989 0.306375910762} H8 15 1
1 {} {0.591317452757 0.688980976688 0.521831729909} H10 16 1
8 {} {0.359378427373 0.57892522683 0.518629477353} O 17 1
1 {} {0.293127270855 0.853440552679 0.508418886094} 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