iterations/neb0_image07_iter266.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
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@data
8 {} {0.479322841412 0.211940106862 0.501608254693} O1 1 1
14 {} {0.337064491588 0.211312572614 0.585539161473} Si1 2 1
14 {} {0.613217390418 0.293781193493 0.454947250621} Si2 3 1
8 {} {0.58199811583 0.453189066804 0.430080602899} O2 4 1
8 {} {0.314106457661 0.353251712585 0.663983699991} O3 5 1
14 {} {0.290112821341 0.515410951038 0.647102948261} Si3 6 1
14 {} {0.496679429887 0.592487762797 0.430371666874} Si4 7 1
1 {} {0.341956987506 0.105369849193 0.689402557596} H1 8 1
1 {} {0.228072051726 0.188741600047 0.485991674265} H2 9 1
1 {} {0.662027895144 0.23518489121 0.327237267638} H3 10 1
1 {} {0.715859500771 0.281797292651 0.561929649976} H4 11 1
1 {} {0.144061280824 0.541884803109 0.647537909084} H5 12 1
1 {} {0.36285012609 0.583528383117 0.758605047495} H6 13 1
1 {} {0.337691151315 0.92674782397 0.497752983519} H7 14 1
1 {} {0.471020674738 0.636072386596 0.291310655543} H8 15 1
1 {} {0.574461505665 0.693934961606 0.505613005438} H10 16 1
8 {} {0.349791808622 0.568394219162 0.502570595022} O 17 1
1 {} {0.309791270519 0.879488264453 0.54947276707} H14 18 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} {10 10 10 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{10 0 0} {0 10 0} {0 0 10}} {{0.1 0 0} {0 0.1 0} {0 0 0.1}}
@end
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	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
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@data
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14 6 0 0
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6 3 0 0
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10 2 0 0
9 2 0 0
@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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9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
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	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end