#MD System 2.0

@Title NaCl_P1 (1 0 0)  surface

@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
	Spin	double	0.0
	WyckoffPosition	int	-1
@end
@data
11 {} Na+ 1.0 {0.25 0.25 0.152953} Na1 1 0.0 -1
11 {} Na+ 1.0 {0.75 0.75 0.847047} Na2 2 0.0 -1
11 {} Na+ 1.0 {0.25 0.25 0.234617} Na3 3 0.0 -1
11 {} Na+ 1.0 {0.75 0.75 0.765383} Na4 4 0.0 -1
11 {} Na+ 1.0 {0.25 0.25 0.316273} Na5 5 0.0 -1
11 {} Na+ 1.0 {0.75 0.75 0.683727} Na6 6 0.0 -1
11 {} Na+ 1.0 {0.25 0.25 0.39793} Na7 7 0.0 -1
11 {} Na+ 1.0 {0.75 0.75 0.60207} Na8 8 0.0 -1
11 {} Na+ 1.0 {0.25 0.25 0.479586} Na9 9 0.0 -1
11 {} Na+ 1.0 {0.75 0.75 0.520414} Na10 10 0.0 -1
11 {} Na+ 1.0 {0.25 0.25 0.561242} Na11 11 0.0 -1
11 {} Na+ 1.0 {0.75 0.75 0.438758} Na12 12 0.0 -1
11 {} Na+ 1.0 {0.25 0.25 0.642898} Na13 13 0.0 -1
11 {} Na+ 1.0 {0.75 0.75 0.357102} Na14 14 0.0 -1
11 {} Na+ 1.0 {0.25 0.25 0.724555} Na15 15 0.0 -1
11 {} Na+ 1.0 {0.75 0.75 0.275445} Na16 16 0.0 -1
11 {} Na+ 1.0 {0.25 0.25 0.806211} Na17 17 0.0 -1
11 {} Na+ 1.0 {0.75 0.75 0.193789} Na18 18 0.0 -1
11 {} Na+ 1.0 {0.25 0.25 0.88773} Na19 19 0.0 -1
11 {} Na+ 1.0 {0.75 0.75 0.11227} Na20 20 0.0 -1
17 {} Cl -1.0 {0.25 0.25 0.111984} Cl1 21 0.0 -1
17 {} Cl -1.0 {0.75 0.75 0.888016} Cl2 22 0.0 -1
17 {} Cl -1.0 {0.25 0.25 0.19379} Cl3 23 0.0 -1
17 {} Cl -1.0 {0.75 0.75 0.80621} Cl4 24 0.0 -1
17 {} Cl -1.0 {0.25 0.25 0.275445} Cl5 25 0.0 -1
17 {} Cl -1.0 {0.75 0.75 0.724555} Cl6 26 0.0 -1
17 {} Cl -1.0 {0.25 0.25 0.357102} Cl7 27 0.0 -1
17 {} Cl -1.0 {0.75 0.75 0.642898} Cl8 28 0.0 -1
17 {} Cl -1.0 {0.25 0.25 0.438758} Cl9 29 0.0 -1
17 {} Cl -1.0 {0.75 0.75 0.561242} Cl10 30 0.0 -1
17 {} Cl -1.0 {0.25 0.25 0.520414} Cl11 31 0.0 -1
17 {} Cl -1.0 {0.75 0.75 0.479586} Cl12 32 0.0 -1
17 {} Cl -1.0 {0.25 0.25 0.60207} Cl13 33 0.0 -1
17 {} Cl -1.0 {0.75 0.75 0.39793} Cl14 34 0.0 -1
17 {} Cl -1.0 {0.25 0.25 0.683727} Cl15 35 0.0 -1
17 {} Cl -1.0 {0.75 0.75 0.316273} Cl16 36 0.0 -1
17 {} Cl -1.0 {0.25 0.25 0.765383} Cl17 37 0.0 -1
17 {} Cl -1.0 {0.75 0.75 0.234617} Cl18 38 0.0 -1
17 {} Cl -1.0 {0.25 0.25 0.847039} Cl19 39 0.0 -1
17 {} Cl -1.0 {0.75 0.75 0.152961} Cl20 40 0.0 -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} {4.09194 4.09194 70.8687 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{4.09194 0 0} {0 4.09194 0} {0 0 70.8687}} {{0.244382859964 0 0} {0 0.244382859964 0} {0 0 0.0141106017184}}
@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