./iterations/neb0_image08_iter30.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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@end
@data
14 {} {0.315159372584 0.759699878914 0.524374333015} Si1 1 1
7 {} {0.423505520616 0.610926722338 0.520722534935} N 2 1
14 {} {0.336995565214 0.324692713502 0.536248873088} Si2 3 1
9 {} {0.316615773646 0.850223065925 0.394919461566} F1 4 1
9 {} {0.387295527538 0.83648939503 0.64146355273} F2 5 1
9 {} {0.167933981668 0.727918960291 0.569268654668} F3 6 1
9 {} {0.24524032561 0.441162589545 0.602871843104} F4 7 1
9 {} {0.318126708016 0.200312931208 0.637917846932} F5 8 1
9 {} {0.544996558343 0.670350387413 0.481837670375} F7 9 1
9 {} {0.271071927172 0.298529868623 0.391946109252} F8 10 1
9 {} {0.400878592 0.519822241809 0.409861520377} F9 11 1
9 {} {0.496583865948 0.332623041153 0.535838336367} 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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@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}}
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@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
@end
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	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end