iterations/neb0_image07_iter289.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
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@end
@data
8 {} {0.481164403565 0.201255163595 0.503267404762} O1 1 1
14 {} {0.340278380557 0.21007580326 0.586127831826} Si1 2 1
14 {} {0.609185874292 0.294029471183 0.455767974771} Si2 3 1
8 {} {0.564553740764 0.448885971071 0.43557097168} O2 4 1
8 {} {0.319493332717 0.360030415779 0.650553296975} O3 5 1
14 {} {0.289030368921 0.520120187131 0.648853447128} Si3 6 1
14 {} {0.496913487991 0.597017857454 0.433775314546} Si4 7 1
1 {} {0.340783118486 0.114133923166 0.699610312457} H1 8 1
1 {} {0.232638697858 0.181495724808 0.489043728348} H2 9 1
1 {} {0.660646655441 0.245898950469 0.324050721931} H3 10 1
1 {} {0.713270545114 0.285670602122 0.562527021007} H4 11 1
1 {} {0.141850431503 0.541346692789 0.653480234982} H5 12 1
1 {} {0.354140924354 0.582429589806 0.767097683582} H6 13 1
1 {} {0.341425343672 0.903532561605 0.479879526525} H7 14 1
1 {} {0.472335731157 0.637054561576 0.293046040337} H8 15 1
1 {} {0.592387206523 0.690704189276 0.498623135749} H10 16 1
8 {} {0.352763798279 0.590949496337 0.513691001057} O 17 1
1 {} {0.307223702675 0.867886773147 0.536092074472} 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
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	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
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14 6 0 0
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4 1 0 0
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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 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 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