#MD System 2.0

@Title C

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
6 {} {0.375 0.375 0.375} C 1 2
@end
@Columns Cell
	Constraints	string	{a b c A B G}
	IREMatrix	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	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} {{1 0 0} {0 1 0} {0 0 1}} {0 0 0} {3.56236938286 3.56236938286 3.56236938286 90 90 90} {{0 0.5 0.5} {0.5 0 0.5} {0.5 0.5 0}} {{1 0 0} {0 1 0} {0 0 1}} Fd-3m 227 {{3.56236938286 0 0} {0 3.56236938286 0} {0 0 3.56236938286}} {{0.280712046542 0 0} {0 0.280712046542 0} {0 0 0.280712046542}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
0 0 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 1 0 {0 0 0} 0
0 2 1 {0 0 0} 0
0 2 3 {0 1 1} 0
0 2 5 {0 0 1} 0
0 2 7 {0 1 0} 0
0 3 0 {0 0 0} 0
0 4 3 {0 0 1} 0
0 6 3 {0 1 0} 0
0 4 1 {0 0 0} 0
0 4 5 {1 0 1} 0
0 4 7 {1 0 0} 0
0 5 0 {0 0 0} 0
0 6 5 {1 0 0} 0
0 6 1 {0 0 0} 0
0 6 7 {1 1 0} 0
0 7 0 {0 0 0} 0
@end