./iterations/neb0_image08_iter32.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 {} {0.470397954616 0.21894738551 0.488726905242} O1 1 1
14 {} {0.334477999476 0.222493926988 0.579331103274} Si1 2 1
14 {} {0.601085909689 0.306895305912 0.442486626454} Si2 3 1
8 {} {0.552375234857 0.456878026209 0.400328382819} O2 4 1
8 {} {0.331136389619 0.358843913296 0.671797116566} O3 5 1
14 {} {0.296704567302 0.517971941138 0.672360014118} Si3 6 1
14 {} {0.503718303208 0.605210932247 0.451411032313} Si4 7 1
1 {} {0.335837298482 0.106984557445 0.671964729674} H1 8 1
1 {} {0.217018392597 0.221036024286 0.488221699787} H2 9 1
1 {} {0.661941390173 0.236769940752 0.326964369647} H3 10 1
1 {} {0.698327331949 0.318301905729 0.554408060147} H4 11 1
1 {} {0.148843307021 0.531602521173 0.675147532284} H5 12 1
1 {} {0.345906329713 0.568755818526 0.802819618644} H6 13 1
1 {} {0.331889932081 0.837723813425 0.414683222371} H7 14 1
1 {} {0.490815122421 0.678191653274 0.322605755175} H8 15 1
1 {} {0.60462629563 0.672833671845 0.53758958218} H10 16 1
8 {} {0.365845552736 0.587676471259 0.541656169824} O 17 1
1 {} {0.319138823609 0.825400159928 0.488556089501} 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
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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