./Stage_1/minimized.sci output for 592: Bi2WO6_1_opt

Status: finished
#MD System 2.0

@Title Bi2WO6_1.cif

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Occupancy	double	1.0
	Site	int	1
	Spin	double	0.0
	WyckoffPosition	int	-1
@end
@data
83 {} {0.0242195487994 0.0157135312885 0.0763749570274} Bi0 1.0 1 0.0 1
83 {} {0.975780451201 0.515713531289 0.923625042973} Bi1 1.0 2 0.0 1
83 {} {0.475780451201 0.515713531289 0.0763749570274} Bi2 1.0 3 0.0 1
83 {} {0.524219548799 0.0157135312885 0.923625042973} Bi3 1.0 4 0.0 1
83 {} {0.975471602051 0.0291614781233 0.423548687567} Bi4 1.0 5 0.0 1
83 {} {0.0245283979494 0.529161478123 0.576451312433} Bi5 1.0 6 0.0 1
83 {} {0.524528397949 0.529161478123 0.423548687567} Bi6 1.0 7 0.0 1
83 {} {0.475471602051 0.0291614781233 0.576451312433} Bi7 1.0 8 0.0 1
74 {} {0.495667838045 0.991780059545 0.249822323324} W8 1.0 9 0.0 1
74 {} {0.504332161955 0.491780059545 0.750177676676} W9 1.0 10 0.0 1
74 {} {0.00433216195516 0.491780059545 0.249822323324} W10 1.0 11 0.0 1
74 {} {0.995667838045 0.991780059545 0.750177676676} W11 1.0 12 0.0 1
8 {} {0.918199066625 0.425355728657 0.356924152498} O12 1.0 13 0.0 1
8 {} {0.0818009333749 0.925355728657 0.643075847502} O13 1.0 14 0.0 1
8 {} {0.581800933375 0.925355728657 0.356924152498} O14 1.0 15 0.0 1
8 {} {0.418199066625 0.425355728657 0.643075847502} O15 1.0 16 0.0 1
8 {} {0.272912637227 0.672388947648 0.270825658807} O16 1.0 17 0.0 1
8 {} {0.727087362773 0.172388947648 0.729174341193} O17 1.0 18 0.0 1
8 {} {0.227087362773 0.172388947648 0.270825658807} O18 1.0 19 0.0 1
8 {} {0.772912637227 0.672388947648 0.729174341193} O19 1.0 20 0.0 1
8 {} {0.788297653662 0.731308946953 0.229121214422} O20 1.0 21 0.0 1
8 {} {0.211702346338 0.231308946953 0.770878785578} O21 1.0 22 0.0 1
8 {} {0.711702346338 0.231308946953 0.229121214422} O22 1.0 23 0.0 1
8 {} {0.288297653662 0.731308946953 0.770878785578} O23 1.0 24 0.0 1
8 {} {0.924219440262 0.910883289172 0.857603329535} O24 1.0 25 0.0 1
8 {} {0.075780559738 0.410883289172 0.142396670465} O25 1.0 26 0.0 1
8 {} {0.575780559738 0.410883289172 0.857603329535} O26 1.0 27 0.0 1
8 {} {0.424219440262 0.910883289172 0.142396670465} O27 1.0 28 0.0 1
8 {} {0.741022205452 0.738979494593 0.00205425390013} O28 1.0 29 0.0 1
8 {} {0.258977794548 0.238979494593 0.9979457461} O29 1.0 30 0.0 1
8 {} {0.758977794548 0.238979494593 0.00205425390013} O30 1.0 31 0.0 1
8 {} {0.241022205452 0.738979494593 0.9979457461} O31 1.0 32 0.0 1
8 {} {0.759156173773 0.752928534021 0.501979673438} O32 1.0 33 0.0 1
8 {} {0.240843826227 0.252928534021 0.498020326562} O33 1.0 34 0.0 1
8 {} {0.740843826227 0.252928534021 0.501979673438} O34 1.0 35 0.0 1
8 {} {0.259156173773 0.752928534021 0.498020326562} O35 1.0 36 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} {5.51616525167 5.5206586762 16.6890935049 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{5.51616525167 0 0} {0 5.5206586762 0} {0 0 16.6890935049}} {{0.181285359371 0 0} {0 0.181137805949 0} {0 0 0.0599193718764}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
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34 4 0 0
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29 1 0 0
3 1 0 0
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23 9 0 2
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18 8 0 2
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30 1 0 0
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31 0 0 0
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@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
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33 11 21 {1 1 0} 0
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2 2 1 {-1 0 -1} 0
16 0 3 {0 0 -1} 0
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6 0 2 {0 -1 0} 0
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25 4 6 {0 -1 0} 0
59 3 29 {0 0 0} 0
27 5 6 {-1 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
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	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end