iterations/neb0_image07_iter242.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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	WyckoffPosition	int	-1
@end
@data
8 {} {0.476171997118 0.222962401016 0.498963111401} O1 1 1
14 {} {0.335865903246 0.213773388974 0.583477298471} Si1 2 1
14 {} {0.615683855338 0.296628227083 0.454603295981} Si2 3 1
8 {} {0.592640475957 0.456837857485 0.428119638799} O2 4 1
8 {} {0.311232344219 0.350590046244 0.671601869252} O3 5 1
14 {} {0.291044063179 0.511749729859 0.646760561995} Si3 6 1
14 {} {0.497052819212 0.58980163649 0.430584498533} Si4 7 1
1 {} {0.342746185242 0.10049902988 0.678655724864} H1 8 1
1 {} {0.224659741833 0.196138922404 0.485703770319} H2 9 1
1 {} {0.65987423784 0.233015950842 0.328110747439} H3 10 1
1 {} {0.717353256873 0.283737755898 0.562399954218} H4 11 1
1 {} {0.147265725542 0.547538975576 0.646020709408} H5 12 1
1 {} {0.365849050383 0.579888363606 0.755736705015} H6 13 1
1 {} {0.339809723799 0.929947477573 0.50560406807} H7 14 1
1 {} {0.46964966571 0.633982921885 0.291927204701} H8 15 1
1 {} {0.562649720197 0.694716167997 0.513583233446} H10 16 1
8 {} {0.349709256146 0.554462886656 0.500441477441} O 17 1
1 {} {0.310827834002 0.876246083321 0.548763865153} 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
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4 1 0 0
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7 1 0 0
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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
0 0 1 {0 0 0} 0
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5 4 1 {0 0 0} 0
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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
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	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end