./iterations/neb0_image02_iter70.sci output for 40: 572-->565: F2 + F3Si-NF-SiF3, to SiF4 + F3Si-NF2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.302295031227 0.74441118577 0.541640649441} Si1 1 1
7 {} {0.364088024283 0.583812475092 0.526916054425} N 2 1
14 {} {0.295371445822 0.42457542424 0.534329922897} Si2 3 1
9 {} {0.317910820477 0.820514649834 0.403450561016} F1 4 1
9 {} {0.384078397924 0.822737951199 0.652290715581} F2 5 1
9 {} {0.149398676315 0.73978530642 0.582038266708} F3 6 1
9 {} {0.160127631213 0.458118164554 0.609886847977} F4 7 1
9 {} {0.377707274804 0.321235938958 0.621231858864} F5 8 1
9 {} {0.503652561004 0.603070916735 0.495732735739} F7 9 1
9 {} {0.250552912532 0.360478692019 0.395400636684} F8 10 1
9 {} {0.505497631169 0.363758393255 0.398578887347} F9 11 1
9 {} {0.613723337384 0.33025270257 0.485773595512} 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
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
@Columns Subset
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	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end