iterations/neb0_image06_iter213.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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@end
@data
8 {} {0.47498170628 0.227174825933 0.486427622521} O1 1 1
14 {} {0.331111233335 0.216241132606 0.56581164812} Si1 2 1
14 {} {0.60887663011 0.31936642242 0.459862822248} Si2 3 1
8 {} {0.573815750973 0.477672532244 0.475417572322} O2 4 1
8 {} {0.298031926017 0.352072337952 0.651795640134} O3 5 1
14 {} {0.285326308157 0.51591213914 0.651791864497} Si3 6 1
14 {} {0.488466782089 0.613545504748 0.447649223209} Si4 7 1
1 {} {0.334164278381 0.102853462453 0.663949260247} H1 8 1
1 {} {0.224355284163 0.196678048419 0.463083834644} H2 9 1
1 {} {0.651871411249 0.296107306257 0.319475773213} H3 10 1
1 {} {0.713405851474 0.293187451949 0.562818770449} H4 11 1
1 {} {0.145849988493 0.547520846734 0.6938470044} H5 12 1
1 {} {0.383217087592 0.57669651912 0.744266292798} H6 13 1
1 {} {0.388554294807 0.810571210056 0.530424894115} H7 14 1
1 {} {0.468480327284 0.653311955231 0.305960970145} H8 15 1
1 {} {0.587924611777 0.714957133967 0.500302184403} H10 16 1
8 {} {0.33030434049 0.575694986444 0.504003239584} O 17 1
1 {} {0.321348119717 0.782954094105 0.504169499591} 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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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
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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