./iterations/neb0_image02_iter227.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 {} {0.460224213316 0.260180377823 0.491077813102} O1 1 1
14 {} {0.327243525444 0.23938288681 0.584812881839} Si1 2 1
14 {} {0.58384140255 0.347501228466 0.428854366334} Si2 3 1
8 {} {0.529654899046 0.489815344519 0.367512331588} O2 4 1
8 {} {0.314589342724 0.357528842168 0.697975539458} O3 5 1
14 {} {0.246661415482 0.504564707677 0.72976903595} Si3 6 1
14 {} {0.557942087756 0.651895881854 0.358343010988} Si4 7 1
1 {} {0.342255182838 0.109491065522 0.655898712425} H1 8 1
1 {} {0.207654512734 0.240981585935 0.49576418119} H2 9 1
1 {} {0.643068461632 0.2681404242 0.318187010021} H3 10 1
1 {} {0.683373903105 0.377191605259 0.535942799661} H4 11 1
1 {} {0.0999135379327 0.488842729365 0.745321524488} H5 12 1
1 {} {0.313295528934 0.554082760077 0.853308113079} H6 13 1
1 {} {0.433026399795 0.71826580291 0.312960928803} H7 14 1
1 {} {0.668733500935 0.68077134938 0.262511383973} H8 15 1
1 {} {0.594968213346 0.705744419485 0.493263693529} H10 16 1
8 {} {0.263315432682 0.609943165238 0.603585482349} O 17 1
1 {} {0.340324646198 0.668193855865 0.595969227538} 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