./iterations/neb0_image04_iter80.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 {} {0.299246747666 0.756133315114 0.540704607308} Si1 1 1
7 {} {0.383386574021 0.592992326019 0.529832919354} N 2 1
14 {} {0.318169216576 0.396296692205 0.511716417679} Si2 3 1
9 {} {0.317799541098 0.823899462857 0.399091190929} F1 4 1
9 {} {0.379319330663 0.832861681233 0.653098686861} F2 5 1
9 {} {0.146683254064 0.742215842861 0.576931536158} F3 6 1
9 {} {0.198950650535 0.476424678604 0.591949450046} F4 7 1
9 {} {0.36523682002 0.295287970693 0.624155120416} F5 8 1
9 {} {0.515000601884 0.624510673698 0.50894526268} F7 9 1
9 {} {0.224098983929 0.329352639671 0.400263868201} F8 10 1
9 {} {0.450540656367 0.400709702579 0.412348667444} F9 11 1
9 {} {0.625971363996 0.302066839315 0.498233005199} F10 12 1
@end
@Columns Cell
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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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@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
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	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end