./iterations/neb0_image01_iter231.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.463057560996 0.258447401653 0.478710561841} O1 1 1
14 {} {0.326959590938 0.250016112676 0.570266569751} Si1 2 1
14 {} {0.59622166041 0.33785989844 0.426078542421} Si2 3 1
8 {} {0.555699289761 0.477510402797 0.34937518618} O2 4 1
8 {} {0.322132113223 0.372463262731 0.680256975282} O3 5 1
14 {} {0.253831092505 0.512164350153 0.733547353415} Si3 6 1
14 {} {0.540215515346 0.641062698197 0.359300264326} Si4 7 1
1 {} {0.330582557934 0.1211856183 0.644619660887} H1 8 1
1 {} {0.209355104173 0.259344966379 0.479175908472} H2 9 1
1 {} {0.664618515924 0.250504607019 0.327328672368} H3 10 1
1 {} {0.683534947806 0.370344023905 0.542708561442} H4 11 1
1 {} {0.107068961927 0.493815787984 0.749665376868} H5 12 1
1 {} {0.322380444884 0.544222768213 0.861939650107} H6 13 1
1 {} {0.405505731441 0.679643373227 0.309243156256} H7 14 1
1 {} {0.646830586854 0.707116012857 0.278501530602} H8 15 1
1 {} {0.553240022234 0.685583538488 0.502307130062} H10 16 1
8 {} {0.270144420586 0.636348734613 0.625198754523} O 17 1
1 {} {0.358707787246 0.674884207947 0.612834022753} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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