#MD System 2.0

@Title NaCl_P1 (1 0 0)  surface

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Site	int	1
	Spin	double	0.0
	WyckoffPosition	int	-1
@end
@data
11 {} {0.25 0.25 0.258502933753} Na1 1 0.0 -1
11 {} {0.75 0.75 0.741497066247} Na2 2 0.0 -1
11 {} {0.25 0.25 0.396501257323} Na3 3 0.0 -1
11 {} {0.75 0.75 0.603498742677} Na4 4 0.0 -1
11 {} {0.25 0.25 0.534499580893} Na5 5 0.0 -1
11 {} {0.75 0.75 0.465500419107} Na6 6 0.0 -1
11 {} {0.25 0.25 0.672497904463} Na7 7 0.0 -1
11 {} {0.75 0.75 0.327502095537} Na8 8 0.0 -1
11 {} {0.25 0.25 0.810496228033} Na9 9 0.0 -1
11 {} {0.75 0.75 0.189503771967} Na10 10 0.0 -1
17 {} {0.25 0.25 0.189503771967} Cl1 11 0.0 -1
17 {} {0.75 0.75 0.810496228033} Cl2 12 0.0 -1
17 {} {0.25 0.25 0.327502095537} Cl3 13 0.0 -1
17 {} {0.75 0.75 0.672497904463} Cl4 14 0.0 -1
17 {} {0.25 0.25 0.465500419107} Cl5 15 0.0 -1
17 {} {0.75 0.75 0.534499580893} Cl6 16 0.0 -1
17 {} {0.25 0.25 0.603498742677} Cl7 17 0.0 -1
17 {} {0.75 0.75 0.396501257323} Cl8 18 0.0 -1
17 {} {0.25 0.25 0.741497066247} Cl9 19 0.0 -1
17 {} {0.75 0.75 0.258502933753} Cl10 20 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 41.93435 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 41.93435}} {{0.244382859964 0 0} {0 0.244382859964 0} {0 0 0.0238467986269}}
@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