./iterations/neb0_image04_iter37.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.470424111291 0.229937988691 0.483044950095} O1 1 1
14 {} {0.333096579032 0.235621946079 0.571535426489} Si1 2 1
14 {} {0.590455209258 0.331235713112 0.437011592073} Si2 3 1
8 {} {0.527376297424 0.47782206463 0.398096212751} O2 4 1
8 {} {0.333759435757 0.373118874776 0.657614250089} O3 5 1
14 {} {0.278507933841 0.523425762253 0.698027650196} Si3 6 1
14 {} {0.516676329037 0.643443166753 0.403296467604} Si4 7 1
1 {} {0.330648550311 0.119279672806 0.66273447304} H1 8 1
1 {} {0.215715070357 0.233424257587 0.482031163207} H2 9 1
1 {} {0.658893644804 0.254652769464 0.32873660693} H3 10 1
1 {} {0.688746547015 0.335147464099 0.548697846355} H4 11 1
1 {} {0.12926082361 0.522888682405 0.704496897441} H5 12 1
1 {} {0.34040304556 0.562486062115 0.828015128782} H6 13 1
1 {} {0.392423878779 0.729299400115 0.403008507055} H7 14 1
1 {} {0.569389412407 0.688175727191 0.271966189649} H8 15 1
1 {} {0.587568730094 0.68436515471 0.527016100264} H10 16 1
8 {} {0.332838255499 0.619320004852 0.577293690713} O 17 1
1 {} {0.313902275286 0.70887325062 0.548434860554} 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