./iterations/neb0_image07_iter54.sci output for 40: 572-->565: F2 + F3Si-NF-SiF3, to SiF4 + F3Si-NF2 (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
14 {} {0.307134553457 0.762835852782 0.532348807951} Si1 1 1
7 {} {0.419739917566 0.608766411601 0.53443967965} N 2 1
14 {} {0.348712982124 0.338152898489 0.522595620412} Si2 3 1
9 {} {0.314276891505 0.841265184745 0.396339789755} F1 4 1
9 {} {0.379333230482 0.842599372876 0.648182249686} F2 5 1
9 {} {0.157977297882 0.735595138805 0.571304209561} F3 6 1
9 {} {0.246213059575 0.449764159449 0.587575750289} F4 7 1
9 {} {0.336265135643 0.231657395677 0.640764352648} F5 8 1
9 {} {0.538388220256 0.664412925641 0.492402832697} F7 9 1
9 {} {0.261864816056 0.281164290577 0.400959179914} F8 10 1
9 {} {0.401586763594 0.499742527935 0.413861029842} F9 11 1
9 {} {0.512910879473 0.316795628984 0.506497253436} F10 12 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
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	Order	int	0
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@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}}
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@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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	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end