./iterations/neb0_image08_iter5.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 {} {0.320034334824 0.775642062992 0.528946583888} Si1 1 1
7 {} {0.42371922522 0.62222239814 0.512767947267} N 2 1
14 {} {0.327801602186 0.320140164396 0.541919079909} Si2 3 1
9 {} {0.319347676403 0.858907058633 0.397009012827} F1 4 1
9 {} {0.384728256925 0.858566007079 0.647829406838} F2 5 1
9 {} {0.175663938019 0.727733417951 0.569081347433} F3 6 1
9 {} {0.223042540711 0.421273168692 0.620099337526} F4 7 1
9 {} {0.301593670474 0.185864916426 0.626921199397} F5 8 1
9 {} {0.542709765649 0.675191237192 0.468095686156} F7 9 1
9 {} {0.275867115237 0.298081424632 0.396253336427} F8 10 1
9 {} {0.418317297813 0.513811100142 0.400147536137} F9 11 1
9 {} {0.511578305388 0.315318835045 0.538200261743} F10 12 1
@end
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	Constraints	string	{a b c A B G}
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	Parameters	double	{{10.0 10.0 10.0 90.0 90.0 90.0}}
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	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
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	Atom2	reference	AsymmetricAtom
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@data
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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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@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
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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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	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end