./iterations/neb0_image06_iter34.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	{{}}
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	WyckoffPosition	int	-1
@end
@data
8 {} {0.468996018188 0.226233669982 0.481908728679} O1 1 1
14 {} {0.332363374126 0.232788091512 0.572094088709} Si1 2 1
14 {} {0.596142690716 0.3201436548 0.439260017038} Si2 3 1
8 {} {0.540794572191 0.469182599597 0.399825205959} O2 4 1
8 {} {0.332718433138 0.364962316071 0.665080392825} O3 5 1
14 {} {0.291683337598 0.521591487859 0.684087004775} Si3 6 1
14 {} {0.495080145746 0.621895387644 0.445185561427} Si4 7 1
1 {} {0.329275310741 0.112814213639 0.658778111734} H1 8 1
1 {} {0.216146661396 0.235397256766 0.479476216308} H2 9 1
1 {} {0.664000063522 0.248251694038 0.328377307417} H3 10 1
1 {} {0.691836033217 0.332011568654 0.552303871223} H4 11 1
1 {} {0.14338224339 0.52387988515 0.698928376888} H5 12 1
1 {} {0.340523944356 0.56047079684 0.818378037255} H6 13 1
1 {} {0.355248886864 0.792576118305 0.420442878198} H7 14 1
1 {} {0.519509489302 0.682636851399 0.30662997121} H8 15 1
1 {} {0.594335451898 0.683865769527 0.537668340863} H10 16 1
8 {} {0.363837281462 0.599084880834 0.55674444373} O 17 1
1 {} {0.334212200062 0.744731709364 0.485889428973} 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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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