./iterations/neb0_image08_iter207.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471450250069 0.22645967009 0.493234996156} O1 1 1
14 {} {0.330202284649 0.219354712946 0.576585003198} Si1 2 1
14 {} {0.613419548153 0.297739035217 0.450760561607} Si2 3 1
8 {} {0.592734927863 0.456919087273 0.415429339074} O2 4 1
8 {} {0.313011886477 0.348599604558 0.677596935295} O3 5 1
14 {} {0.300028127825 0.51268890852 0.671040281997} Si3 6 1
14 {} {0.512533638934 0.596666103372 0.448964845031} Si4 7 1
1 {} {0.331658713585 0.0966904079865 0.660705355005} H1 8 1
1 {} {0.218524745379 0.218454170442 0.477460318431} H2 9 1
1 {} {0.663574213006 0.230384641308 0.328056774203} H3 10 1
1 {} {0.709514065097 0.28707360479 0.564224624832} H4 11 1
1 {} {0.157000916603 0.552277262377 0.660263234608} H5 12 1
1 {} {0.365204674541 0.568519300049 0.792652823341} H6 13 1
1 {} {0.311328515708 0.904430997372 0.474593969876} H7 14 1
1 {} {0.471187295589 0.656525761961 0.318776475737} H8 15 1
1 {} {0.602351914876 0.686602897222 0.528099100193} H10 16 1
8 {} {0.375722025081 0.568876065667 0.535981182652} O 17 1
1 {} {0.270638519748 0.844255627362 0.456631918474} 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