#MD System 2.0

@Title NaCl_P1

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	FFAtomType	string	{{}}
	FFCharge	double	0.0
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
11 {} Na+ 1.0 {1 4.56368e-18 7.01665e-19} Na1 1 -1
11 {} Na+ 1.0 {1.75245e-17 0.5 0.5} Na2 2 -1
11 {} Na+ 1.0 {0.5 0 0.5} Na3 3 -1
11 {} Na+ 1.0 {0.5 0.5 1} Na4 4 -1
17 {} Cl -1.0 {0.5 0.5 0.5} Cl1 5 -1
17 {} Cl -1.0 {0.5 2.92075e-18 2.92075e-18} Cl2 6 -1
17 {} Cl -1.0 {1 0.5 4.38113e-18} Cl3 7 -1
17 {} Cl -1.0 {1 1 0.5} Cl4 8 -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} {5.64056 5.64056 5.64056 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{5.64056 0 0} {0 5.64056 0} {0 0 5.64056}} {{0.177287361539 0 0} {0 0.177287361539 0} {0 0 0.177287361539}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
@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