./iterations/neb0_image05_iter212.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.47377436222 0.247546440294 0.49095070332} O1 1 1
14 {} {0.327397631956 0.228382353385 0.560706481016} Si1 2 1
14 {} {0.604392931974 0.34472911505 0.468988105541} Si2 3 1
8 {} {0.565142738151 0.501499668219 0.503373134147} O2 4 1
8 {} {0.276389541475 0.364565108377 0.636259640817} O3 5 1
14 {} {0.241095226722 0.522774494464 0.662278716677} Si3 6 1
14 {} {0.567843549261 0.656049368329 0.445481514507} Si4 7 1
1 {} {0.337831463465 0.119574113385 0.660367245701} H1 8 1
1 {} {0.227404685223 0.187183211433 0.457739570982} H2 9 1
1 {} {0.645709937137 0.336707930323 0.326541680896} H3 10 1
1 {} {0.71136760547 0.301751388845 0.561510951749} H4 11 1
1 {} {0.134995538177 0.523098907333 0.768281010337} H5 12 1
1 {} {0.365754087441 0.595361193004 0.696239498931} H6 13 1
1 {} {0.487471843754 0.737521933214 0.543905589325} H7 14 1
1 {} {0.502743149026 0.660352869127 0.310901888411} H8 15 1
1 {} {0.70688204376 0.706300655469 0.434811428221} H10 16 1
8 {} {0.180573957503 0.600331909001 0.528077035297} O 17 1
1 {} {0.253315710901 0.638787354538 0.474643985741} 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