./iterations/neb0_image08_iter161.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 {} {0.470801301171 0.22846657652 0.492991315945} O1 1 1
14 {} {0.330102041742 0.220162790857 0.576813189805} Si1 2 1
14 {} {0.611450393482 0.301276978712 0.449744085138} Si2 3 1
8 {} {0.586322573162 0.458880006808 0.409917233765} O2 4 1
8 {} {0.316335833357 0.348205563276 0.680196328983} O3 5 1
14 {} {0.301040621386 0.511849251541 0.673469442183} Si3 6 1
14 {} {0.511057173342 0.600121997177 0.450766605358} Si4 7 1
1 {} {0.329432087323 0.0959821577934 0.65796806894} H1 8 1
1 {} {0.218267105032 0.223089597548 0.478633388131} H2 9 1
1 {} {0.662854327808 0.230497951005 0.329537796488} H3 10 1
1 {} {0.707621812097 0.292302462877 0.563881658899} H4 11 1
1 {} {0.157090024635 0.548557264892 0.659932842139} H5 12 1
1 {} {0.364148989598 0.568344036847 0.796466868814} H6 13 1
1 {} {0.318738577059 0.890595259526 0.462476998429} H7 14 1
1 {} {0.465835396937 0.669400795737 0.326844310868} H8 15 1
1 {} {0.607375641207 0.682817460193 0.529482235129} H10 16 1
8 {} {0.377484430844 0.570687002538 0.539174169749} O 17 1
1 {} {0.274127916748 0.831280724474 0.452761264117} 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
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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
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3 14 6 {0 0 0} 0
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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
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	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end