#MD System 2.0

@Title (COD #9008651)_P1 (0 0 1)  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
19 {} {0.25 0.25 0.1807972821} K1 1 0.0 -1
19 {} {0.75 0.75 0.8192027179} K2 2 0.0 -1
19 {} {0.25 0.25 0.322665156722} K3 3 0.0 -1
19 {} {0.75 0.75 0.677334843278} K4 4 0.0 -1
19 {} {0.25 0.25 0.464533031344} K5 5 0.0 -1
19 {} {0.75 0.75 0.535466968656} K6 6 0.0 -1
19 {} {0.25 0.25 0.606400905967} K7 7 0.0 -1
19 {} {0.75 0.75 0.393599094033} K8 8 0.0 -1
19 {} {0.25 0.25 0.748268780589} K9 9 0.0 -1
19 {} {0.75 0.75 0.251731219411} K10 10 0.0 -1
17 {} {0.25 0.25 0.251731219411} Cl1 11 0.0 -1
17 {} {0.75 0.75 0.748268780589} Cl2 12 0.0 -1
17 {} {0.25 0.25 0.393599094033} Cl3 13 0.0 -1
17 {} {0.75 0.75 0.606400905967} Cl4 14 0.0 -1
17 {} {0.25 0.25 0.535466968656} Cl5 15 0.0 -1
17 {} {0.75 0.75 0.464533031344} Cl6 16 0.0 -1
17 {} {0.25 0.25 0.677334843278} Cl7 17 0.0 -1
17 {} {0.75 0.75 0.322665156722} Cl8 18 0.0 -1
17 {} {0.25 0.25 0.8192027179} Cl9 19 0.0 -1
17 {} {0.75 0.75 0.1807972821} 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} {4.48669 4.48669 44.7257 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{4.48669 0 0} {0 4.48669 0} {0 0 44.7257}} {{0.22288145604 0 0} {0 0.22288145604 0} {0 0 0.0223585097606}}
@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