./iterations/neb0_image06_iter42.sci output for 40: 572-->565: F2 + F3Si-NF-SiF3, to SiF4 + F3Si-NF2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
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@end
@data
14 {} {0.302595418543 0.769544321496 0.535539483944} Si1 1 1
7 {} {0.406367330714 0.614402847942 0.542228683325} N 2 1
14 {} {0.339056816124 0.351469730613 0.512580972146} Si2 3 1
9 {} {0.31535283376 0.847220898219 0.39617120826} F1 4 1
9 {} {0.3830021838 0.845109919968 0.649766660087} F2 5 1
9 {} {0.155380577328 0.738994614269 0.575573514962} F3 6 1
9 {} {0.234605739682 0.456859847913 0.584292077722} F4 7 1
9 {} {0.350424195834 0.24508664308 0.63267603279} F5 8 1
9 {} {0.525854599009 0.653450101236 0.491981321611} F7 9 1
9 {} {0.243510579183 0.290307320888 0.398846823786} F8 10 1
9 {} {0.422101167648 0.452804934622 0.410358191318} F9 11 1
9 {} {0.546152296126 0.307500605916 0.517255785098} 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
	Key	int	0
	Order	int	0
@end
@data
1 0 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 0 3 {0 0 0} 0
2 0 4 {0 0 0} 0
3 5 0 {0 0 0} 0
4 6 2 {0 0 0} 0
5 8 1 {0 0 0} 0
6 7 2 {0 0 0} 0
7 9 2 {0 0 0} 0
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	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end