iterations/neb0_image07_iter123.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 {} {0.470013034927 0.225124286307 0.490801431043} O1 1 1
14 {} {0.330622607307 0.222459720773 0.578084880536} Si1 2 1
14 {} {0.603775022585 0.310179941946 0.447066403445} Si2 3 1
8 {} {0.568149854831 0.464832694005 0.40670254005} O2 4 1
8 {} {0.322973926421 0.352584371865 0.679143261483} O3 5 1
14 {} {0.297591057921 0.515212890448 0.672502630247} Si3 6 1
14 {} {0.503962103778 0.609084161545 0.450137030583} Si4 7 1
1 {} {0.328830208677 0.0994033441377 0.661676787542} H1 8 1
1 {} {0.214634109783 0.22590856681 0.483899043539} H2 9 1
1 {} {0.657931904356 0.246441188595 0.325137370648} H3 10 1
1 {} {0.700271627936 0.315221523706 0.560520024805} H4 11 1
1 {} {0.151738477499 0.541885365635 0.664248040467} H5 12 1
1 {} {0.358223525697 0.574125213556 0.794886006479} H6 13 1
1 {} {0.348729204566 0.833302977444 0.43734374362} H7 14 1
1 {} {0.475562836012 0.679303499432 0.32212357541} H8 15 1
1 {} {0.597848405582 0.689928812026 0.534285979492} H10 16 1
8 {} {0.366299769805 0.579329515217 0.537631160393} O 17 1
1 {} {0.312928428255 0.78818984552 0.484868028945} 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
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@data
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14 6 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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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