iterations/neb0_image02_iter182.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 {} {0.463931841091 0.254025555823 0.490699065002} O1 1 1
14 {} {0.328413576198 0.239594762253 0.581992040218} Si1 2 1
14 {} {0.586191341482 0.344304658631 0.429832120789} Si2 3 1
8 {} {0.528993201277 0.486122039862 0.36979123413} O2 4 1
8 {} {0.318920901686 0.36119226949 0.692120703865} O3 5 1
14 {} {0.250728500957 0.507316203674 0.726449287249} Si3 6 1
14 {} {0.551417008272 0.649228089896 0.361800575982} Si4 7 1
1 {} {0.337943625107 0.11095866412 0.656278988758} H1 8 1
1 {} {0.209273694581 0.241678401332 0.491955751994} H2 9 1
1 {} {0.646625694441 0.26641930393 0.318711268345} H3 10 1
1 {} {0.684196089782 0.373326325671 0.538457526356} H4 11 1
1 {} {0.10375041797 0.491175594361 0.742052553318} H5 12 1
1 {} {0.317843509593 0.556602381813 0.850025642957} H6 13 1
1 {} {0.424171747941 0.714420858069 0.318666480478} H7 14 1
1 {} {0.659786879513 0.681153972507 0.264488949561} H8 15 1
1 {} {0.590127865813 0.701996945209 0.496699886617} H10 16 1
8 {} {0.26735074554 0.614978066726 0.601988930004} O 17 1
1 {} {0.340419463853 0.678023831676 0.599047145379} 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