./iterations/neb0_image09_iter214.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472203751861 0.215399363467 0.493763677133} O1 1 1
14 {} {0.333168416296 0.215029810192 0.5817991309} Si1 2 1
14 {} {0.605915357653 0.29698264939 0.444926193586} Si2 3 1
8 {} {0.569607776859 0.451907389731 0.402746795527} O2 4 1
8 {} {0.322872689326 0.349133213614 0.676582867944} O3 5 1
14 {} {0.299851215697 0.512216323499 0.673105886988} Si3 6 1
14 {} {0.511338682822 0.597160646993 0.452736324649} Si4 7 1
1 {} {0.334718374568 0.09672965757 0.671385253187} H1 8 1
1 {} {0.218496227306 0.211934853921 0.486689980802} H2 9 1
1 {} {0.659280478237 0.22901046594 0.324221577149} H3 10 1
1 {} {0.705240571818 0.299851866694 0.556187988083} H4 11 1
1 {} {0.154832578114 0.542409959593 0.659289968266} H5 12 1
1 {} {0.357254297375 0.568249448184 0.798442323734} H6 13 1
1 {} {0.317270381732 0.910269817346 0.429833297806} H7 14 1
1 {} {0.474000128928 0.673976658216 0.331451540234} H8 15 1
1 {} {0.61500906698 0.66651440341 0.534608984913} H10 16 1
8 {} {0.375472487801 0.578639646764 0.543193204927} O 17 1
1 {} {0.283553622621 0.857101783618 0.470092652528} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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