./iterations/neb0_image02_iter240.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 {} {0.458982041723 0.26278577213 0.490951086134} O1 1 1
14 {} {0.326851940812 0.239351051842 0.585238811558} Si1 2 1
14 {} {0.583523308952 0.348672352496 0.428239477172} Si2 3 1
8 {} {0.530270540379 0.491414256857 0.366612503655} O2 4 1
8 {} {0.312928528193 0.356130697474 0.700117076189} O3 5 1
14 {} {0.245026851757 0.503457125109 0.731051353096} Si3 6 1
14 {} {0.560053752587 0.653185885796 0.357061283588} Si4 7 1
1 {} {0.34382879858 0.109189234664 0.655554383146} H1 8 1
1 {} {0.206559717053 0.240114164852 0.496930002772} H2 9 1
1 {} {0.642224184334 0.268244691655 0.317820024273} H3 10 1
1 {} {0.683060401984 0.377789615772 0.535700550144} H4 11 1
1 {} {0.0981644795415 0.487592915769 0.746800665148} H5 12 1
1 {} {0.31181119761 0.554195884616 0.854193401269} H6 13 1
1 {} {0.435535601172 0.720417465772 0.31097332589} H7 14 1
1 {} {0.671900538859 0.680577857034 0.262256973029} H8 15 1
1 {} {0.597940244342 0.707053807774 0.491715880903} H10 16 1
8 {} {0.260842826846 0.608603580885 0.604936774701} O 17 1
1 {} {0.34058129893 0.663741717015 0.594904410219} 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