./iterations/neb0_image08_iter41.sci output for 40: 572-->565: F2 + F3Si-NF-SiF3, to SiF4 + F3Si-NF2 (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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	WyckoffPosition	int	-1
@end
@data
14 {} {0.314466928313 0.760860440513 0.527024605193} Si1 1 1
7 {} {0.422846379832 0.612285657867 0.522104942919} N 2 1
14 {} {0.338608829797 0.324676861627 0.53593712294} Si2 3 1
9 {} {0.315790697598 0.84466024821 0.392803391037} F1 4 1
9 {} {0.388646382112 0.836057990634 0.644631871134} F2 5 1
9 {} {0.165751247785 0.725068923008 0.566607670128} F3 6 1
9 {} {0.252772146935 0.443313660493 0.5987971849} F4 7 1
9 {} {0.31720065854 0.204252752975 0.636922559553} F5 8 1
9 {} {0.547105348571 0.668680788249 0.484885082045} F7 9 1
9 {} {0.271735241527 0.291032443042 0.39690888789} F8 10 1
9 {} {0.392652946464 0.5283126163 0.407787003447} F9 11 1
9 {} {0.496826914497 0.333549406189 0.532860418783} F10 12 1
@end
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	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
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@end
@data
1 0 0 0
10 1 0 0
3 0 0 0
4 0 0 0
5 0 0 0
6 2 0 0
8 1 0 0
7 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 0 1 {0 0 0} 0
1 1 10 {0 0 0} 0
2 0 3 {0 0 0} 0
3 4 0 {0 0 0} 0
4 5 0 {0 0 0} 0
5 6 2 {0 0 0} 0
6 8 1 {0 0 0} 0
7 7 2 {0 0 0} 0
8 9 2 {0 0 0} 0
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@Columns Subset
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	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end