iterations/neb0_image07_iter112.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 {} {0.470132195259 0.224047435988 0.491157900715} O1 1 1
14 {} {0.33083605582 0.222248093667 0.578252809515} Si1 2 1
14 {} {0.601491623826 0.311788194648 0.446473438459} Si2 3 1
8 {} {0.56332542722 0.46495929611 0.405949617135} O2 4 1
8 {} {0.324217972382 0.352712126412 0.678321977266} O3 5 1
14 {} {0.298190577644 0.514943288688 0.674490692458} Si3 6 1
14 {} {0.503766735947 0.610291926856 0.451219056444} Si4 7 1
1 {} {0.327685569941 0.0998304090653 0.662173346694} H1 8 1
1 {} {0.215426590341 0.228154303359 0.484726836797} H2 9 1
1 {} {0.657830197593 0.250391014853 0.32438325677} H3 10 1
1 {} {0.697511033223 0.317977454718 0.559745132273} H4 11 1
1 {} {0.152232189218 0.541872365338 0.665466513886} H5 12 1
1 {} {0.356401800063 0.571935109692 0.798892488639} H6 13 1
1 {} {0.349603251899 0.828226323565 0.432244547284} H7 14 1
1 {} {0.480883536561 0.680200996913 0.322704511551} H8 15 1
1 {} {0.600728858026 0.687438707178 0.533566418308} H10 16 1
8 {} {0.369438996578 0.58077794381 0.542386707318} O 17 1
1 {} {0.310383515312 0.784722941141 0.478902691739} H14 18 1
@end
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	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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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}}
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@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
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	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end