./iterations/neb0_image06_iter133.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.4703009863 0.227801552697 0.488229479339} O1 1 1
14 {} {0.329188656177 0.224111469953 0.572838347135} Si1 2 1
14 {} {0.601527494618 0.320244984288 0.449279333583} Si2 3 1
8 {} {0.56552593732 0.475510859967 0.423678921502} O2 4 1
8 {} {0.319143286141 0.353085713329 0.673694714629} O3 5 1
14 {} {0.290081732107 0.515565701298 0.665008642019} Si3 6 1
14 {} {0.491279472062 0.619449353921 0.446564011762} Si4 7 1
1 {} {0.330426461176 0.102972929088 0.658170521334} H1 8 1
1 {} {0.214797310251 0.223053715843 0.476304986396} H2 9 1
1 {} {0.656712081695 0.264263106709 0.322528363013} H3 10 1
1 {} {0.701568885985 0.318457644983 0.5610094235} H4 11 1
1 {} {0.143205475203 0.536414205057 0.680832128362} H5 12 1
1 {} {0.364651693371 0.581775608005 0.775361131964} H6 13 1
1 {} {0.386121857565 0.804396196957 0.47671570573} H7 14 1
1 {} {0.481673333011 0.676651249583 0.308312965735} H8 15 1
1 {} {0.589683728692 0.69791043853 0.527396000807} H10 16 1
8 {} {0.344750675871 0.571879310731 0.519303961985} O 17 1
1 {} {0.329447002385 0.758973855395 0.505829343041} 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