iterations/neb0_image08_iter196.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	{{}}
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@end
@data
8 {} {0.471130756894 0.227526977049 0.493300717162} O1 1 1
14 {} {0.33014169871 0.219825732775 0.57652529123} Si1 2 1
14 {} {0.612459837506 0.298980680768 0.449947570075} Si2 3 1
8 {} {0.59005985716 0.457238931205 0.41385823033} O2 4 1
8 {} {0.313771844412 0.348603130376 0.678220716948} O3 5 1
14 {} {0.300259642429 0.512139304236 0.671911692832} Si3 6 1
14 {} {0.512253422372 0.597724265972 0.449607393866} Si4 7 1
1 {} {0.331151744852 0.0968088049377 0.659977881509} H1 8 1
1 {} {0.21837227998 0.220590058293 0.477966361227} H2 9 1
1 {} {0.663611009999 0.231015716724 0.328315764176} H3 10 1
1 {} {0.708214174005 0.290073287712 0.563514749947} H4 11 1
1 {} {0.156729566707 0.550547709499 0.661489745546} H5 12 1
1 {} {0.364006350108 0.568164567593 0.794273078581} H6 13 1
1 {} {0.313901876617 0.89965314149 0.471286966416} H7 14 1
1 {} {0.471098138615 0.660040095809 0.321420407747} H8 15 1
1 {} {0.603953097252 0.685281916331 0.528230090069} H10 16 1
8 {} {0.377213804763 0.568649720496 0.537204744164} O 17 1
1 {} {0.271757156453 0.839653824087 0.454006368873} 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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1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
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11 5 0 0
7 1 0 0
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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 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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	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end