./iterations/neb0_image02_iter262.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 {} {0.457699632329 0.265551809871 0.489467432859} O1 1 1
14 {} {0.326651009874 0.240396000221 0.584115562147} Si1 2 1
14 {} {0.58385241825 0.349396008089 0.427936653228} Si2 3 1
8 {} {0.532533322511 0.492381720678 0.365926604364} O2 4 1
8 {} {0.311571179929 0.356256251778 0.699150324645} O3 5 1
14 {} {0.243380802602 0.502742863008 0.732650203492} Si3 6 1
14 {} {0.562277876639 0.654408150819 0.356809069945} Si4 7 1
1 {} {0.345046069416 0.110367062722 0.653407063938} H1 8 1
1 {} {0.205709443079 0.239130806173 0.497724415668} H2 9 1
1 {} {0.641845879696 0.268136756634 0.318244706626} H3 10 1
1 {} {0.682233258189 0.376564449305 0.536448100447} H4 11 1
1 {} {0.0972613277132 0.486176263337 0.749220804869} H5 12 1
1 {} {0.311216490918 0.553576440162 0.854906746095} H6 13 1
1 {} {0.43665386041 0.720985847724 0.311302108148} H7 14 1
1 {} {0.673280974796 0.681863674951 0.261056098546} H8 15 1
1 {} {0.600905668361 0.707780034809 0.491273463427} H10 16 1
8 {} {0.257586054628 0.609698727219 0.606859695511} O 17 1
1 {} {0.340381060314 0.657105273861 0.594558826453} 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