iterations/neb0_image09_iter299.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 {} {0.472622330303 0.210224530601 0.49563789987} O1 1 1
14 {} {0.333404298039 0.214464674862 0.583045065672} Si1 2 1
14 {} {0.606830492761 0.29198528911 0.448235880934} Si2 3 1
8 {} {0.571084992382 0.44865164056 0.414926170711} O2 4 1
8 {} {0.323102984618 0.353623324829 0.669315798936} O3 5 1
14 {} {0.300224962011 0.516508895342 0.668622923529} Si3 6 1
14 {} {0.512430396617 0.597129490205 0.451930284876} Si4 7 1
1 {} {0.334204141771 0.101727767842 0.679671329623} H1 8 1
1 {} {0.219164108593 0.205831619502 0.48789461135} H2 9 1
1 {} {0.657578328189 0.229174104675 0.323515962651} H3 10 1
1 {} {0.707658123219 0.28756665445 0.557978518995} H4 11 1
1 {} {0.154917574376 0.546352537728 0.660677872753} H5 12 1
1 {} {0.361448587725 0.570155759447 0.792869579225} H6 13 1
1 {} {0.312446177167 0.918776198995 0.438800109667} H7 14 1
1 {} {0.481827873983 0.667131016427 0.324638221379} H8 15 1
1 {} {0.613535386878 0.670435382383 0.533549195454} H10 16 1
8 {} {0.37227465315 0.584352528999 0.537377154698} O 17 1
1 {} {0.27533085002 0.858426435812 0.462371086654} 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 0
15 6 0 0
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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
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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
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	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end