iterations/neb0_image08_iter238.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.472342716526 0.224884043696 0.493503534801} O1 1 1
14 {} {0.331266440956 0.218715047564 0.576778535936} Si1 2 1
14 {} {0.613747963194 0.296701287748 0.451836090049} Si2 3 1
8 {} {0.592092632447 0.45603602736 0.419697972867} O2 4 1
8 {} {0.313651867114 0.349665359713 0.675253246209} O3 5 1
14 {} {0.30037150286 0.513511886348 0.667944486998} Si3 6 1
14 {} {0.511383604006 0.596211358164 0.447554826666} Si4 7 1
1 {} {0.332116012689 0.0976249668692 0.662432725574} H1 8 1
1 {} {0.219844310251 0.214436065285 0.478163440237} H2 9 1
1 {} {0.663072524217 0.230386828421 0.328762373295} H3 10 1
1 {} {0.71027113663 0.282989323315 0.564284882888} H4 11 1
1 {} {0.157463976362 0.552791563281 0.658933507735} H5 12 1
1 {} {0.366045464955 0.568490192571 0.789513739221} H6 13 1
1 {} {0.311079235543 0.910745601732 0.474516936585} H7 14 1
1 {} {0.4720329526 0.653547450822 0.31665868275} H8 15 1
1 {} {0.598833196775 0.686714779831 0.526508281812} H10 16 1
8 {} {0.373271691215 0.57083988921 0.532234067874} O 17 1
1 {} {0.271199026696 0.848226202046 0.466480387985} 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
@end
@data
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1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 0 0
11 5 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
0 12 5 {0 0 0} 0
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3 14 6 {0 0 0} 0
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5 15 6 {0 0 0} 0
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7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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