iterations/neb3_max1_image03_iter15.sci output for Job 564

iterations/neb3_max1_image03_iter15.sci output for 564: 4940072_SO2_t_3990147

Status: finished
#MD System 2.0

@Title neb3_max1_image03

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Occupancy	double	1.0
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
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@end
@Columns Cell
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	Parameters	double	{{10.0 10.0 10.0 90.0 90.0 90.0}}
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	SpaceGroup	string	P1
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	ToCartesians	double	{{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}}
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@end
@data
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@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
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@end
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