./iterations/neb0_image09_iter47.sci output for 40: 572-->565: F2 + F3Si-NF-SiF3, to SiF4 + F3Si-NF2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
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	WyckoffPosition	int	-1
@end
@data
14 {} {0.322901754265 0.770017943573 0.5264966871} Si1 1 1
7 {} {0.433122974388 0.626133253596 0.517735442557} N 2 1
14 {} {0.327932047315 0.30538501024 0.544621366549} Si2 3 1
9 {} {0.31854618467 0.853488192994 0.392278714647} F1 4 1
9 {} {0.387969577095 0.851646866419 0.645372568838} F2 5 1
9 {} {0.177292903097 0.720552887793 0.561568203207} F3 6 1
9 {} {0.25215524509 0.424393212059 0.615197094178} F4 7 1
9 {} {0.297310875868 0.171863098183 0.624141386082} F5 8 1
9 {} {0.55551933509 0.684288541047 0.473007166584} F7 9 1
9 {} {0.275548145291 0.287140817169 0.396606625285} F8 10 1
9 {} {0.38926876189 0.54983432066 0.402966256776} F9 11 1
9 {} {0.486835930981 0.3280076371 0.547279218718} 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
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@end
@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
11 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 3 0 {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
9 11 2 {0 0 0} 0
@end
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	Criteria	string	{{}}
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	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end