iterations/neb0_image07_iter86.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	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
8 {} {0.470630918258 0.221036398639 0.4891218177} O1 1 1
14 {} {0.33139809637 0.223664573861 0.577255964231} Si1 2 1
14 {} {0.599628388999 0.312800622263 0.444656797799} Si2 3 1
8 {} {0.554453525617 0.463875030324 0.402893982007} O2 4 1
8 {} {0.327556204275 0.353478443108 0.67947940643} O3 5 1
14 {} {0.298791732764 0.51585375096 0.67812165038} Si3 6 1
14 {} {0.504076930144 0.611181493356 0.453568993861} Si4 7 1
1 {} {0.326653471536 0.10084894061 0.660937551145} H1 8 1
1 {} {0.216436766549 0.231534202913 0.482154616866} H2 9 1
1 {} {0.660516618081 0.256405564156 0.321746155033} H3 10 1
1 {} {0.693215057843 0.321794789233 0.560458552051} H4 11 1
1 {} {0.152174848245 0.540647393826 0.668659574788} H5 12 1
1 {} {0.354962564426 0.569333490713 0.805082936223} H6 13 1
1 {} {0.351809641807 0.819458660945 0.425880959337} H7 14 1
1 {} {0.482465658555 0.683050515276 0.325748757408} H8 15 1
1 {} {0.605782707665 0.682300804343 0.536596146078} H10 16 1
8 {} {0.369434814872 0.587079923243 0.547450935781} O 17 1
1 {} {0.310098179769 0.778173370258 0.471243146525} 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
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
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14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 0 0
7 1 0 0
8 1 0 0
6 3 0 0
5 4 0 0
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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2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
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5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
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
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end