./iterations/neb0_image05_iter89.sci output for 40: 572-->565: F2 + F3Si-NF-SiF3, to SiF4 + F3Si-NF2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
14 {} {0.304973049428 0.768362422682 0.544531639483} Si1 1 1
7 {} {0.405526841811 0.614680311485 0.557035839784} N 2 1
14 {} {0.302411742012 0.365307942816 0.502680873473} Si2 3 1
9 {} {0.320605397995 0.828815160357 0.399052260832} F1 4 1
9 {} {0.371966539036 0.859363144043 0.65538642415} F2 5 1
9 {} {0.153657714273 0.740850972066 0.579099356116} F3 6 1
9 {} {0.207329764787 0.474781556732 0.569251501977} F4 7 1
9 {} {0.358005870347 0.276373355569 0.620055586709} F5 8 1
9 {} {0.525859250791 0.6477679272 0.502982575773} F7 9 1
9 {} {0.20723055467 0.286645056018 0.403892627947} F8 10 1
9 {} {0.419371227889 0.415125918838 0.408455574503} F9 11 1
9 {} {0.647465755997 0.294678083152 0.504846455043} 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
	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
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end