./iterations/neb0_image04_iter37.sci output for 40: 572-->565: F2 + F3Si-NF-SiF3, to SiF4 + F3Si-NF2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
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@end
@data
14 {} {0.303681760968 0.758412371633 0.538872156124} Si1 1 1
7 {} {0.377357352194 0.593443064416 0.525999984538} N 2 1
14 {} {0.316150920127 0.391267113677 0.516204529697} Si2 3 1
9 {} {0.320369143493 0.834352371997 0.401506395409} F1 4 1
9 {} {0.386723109499 0.834878829981 0.649096045292} F2 5 1
9 {} {0.152451324727 0.737261634601 0.580221808045} F3 6 1
9 {} {0.198003792549 0.460436966163 0.599989186434} F4 7 1
9 {} {0.370655354347 0.282810198652 0.618083326247} F5 8 1
9 {} {0.507665891881 0.628263568357 0.494441880656} F7 9 1
9 {} {0.236068468918 0.327429003897 0.393948829382} F8 10 1
9 {} {0.458297912536 0.40632727234 0.421978532571} F9 11 1
9 {} {0.596978712295 0.317869399754 0.506928075002} 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
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@end
@data
1 0 0 0
11 10 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 11 10 {0 0 0} 0
2 0 3 {0 0 0} 0
3 0 4 {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