iterations/neb0_image08_iter31.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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@data
8 {} {0.470348704298 0.219160776133 0.488858377176} O1 1 1
14 {} {0.334592789221 0.222673832333 0.579552996023} Si1 2 1
14 {} {0.601074079139 0.307225945657 0.442313741112} Si2 3 1
8 {} {0.552346172746 0.456789783212 0.4001988331} O2 4 1
8 {} {0.330905352302 0.359327134026 0.671857555021} O3 5 1
14 {} {0.296163806168 0.518141115324 0.672926036106} Si3 6 1
14 {} {0.503714476531 0.605430383376 0.451378096071} Si4 7 1
1 {} {0.336036846927 0.106940594566 0.672399004761} H1 8 1
1 {} {0.216955312213 0.220735161837 0.488305480418} H2 9 1
1 {} {0.662026039791 0.236124170218 0.326924254945} H3 10 1
1 {} {0.698502376534 0.317996289395 0.554434125963} H4 11 1
1 {} {0.148710143263 0.530936143285 0.67574926879} H5 12 1
1 {} {0.345373740909 0.568142707255 0.803057495152} H6 13 1
1 {} {0.33153521872 0.838164098047 0.415725045717} H7 14 1
1 {} {0.492134818272 0.677941332495 0.321962041364} H8 15 1
1 {} {0.604152786074 0.672556149626 0.536934497958} H10 16 1
8 {} {0.366414828451 0.587976570959 0.541019934321} O 17 1
1 {} {0.319098644087 0.826255781123 0.487461225986} 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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	Atom2	reference	AsymmetricAtom
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	Order	int	0
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@data
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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 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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	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end