iterations/neb0_image08_iter245.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 {} {0.472621596994 0.224067745943 0.493619698006} O1 1 1
14 {} {0.331650677478 0.218521895614 0.576964196949} Si1 2 1
14 {} {0.613822827473 0.296273210857 0.452263455149} Si2 3 1
8 {} {0.591357834797 0.45556426305 0.421464909585} O2 4 1
8 {} {0.314103062095 0.350113043678 0.674185101599} O3 5 1
14 {} {0.300289232998 0.513768991424 0.666846331852} Si3 6 1
14 {} {0.511073956876 0.596025175581 0.446757904758} Si4 7 1
1 {} {0.332450702579 0.0981614644089 0.663478725646} H1 8 1
1 {} {0.220220632415 0.212896066452 0.478355997599} H2 9 1
1 {} {0.66295481048 0.230583776074 0.328884243136} H3 10 1
1 {} {0.710471805339 0.281737389419 0.564205015738} H4 11 1
1 {} {0.157405836255 0.55267076596 0.658781189341} H5 12 1
1 {} {0.366157427683 0.568458273841 0.78823013982} H6 13 1
1 {} {0.311113370529 0.912559710038 0.474336204116} H7 14 1
1 {} {0.472753156372 0.652670327611 0.315601205598} H8 15 1
1 {} {0.597716268199 0.686971072438 0.525828116993} H10 16 1
8 {} {0.371915343224 0.571633377455 0.530640549447} O 17 1
1 {} {0.27200770588 0.849841332398 0.470614730197} 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
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	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
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2 0 0 0
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15 6 0 0
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11 5 0 0
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}}
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@end
@data
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8 5 11 {0 0 0} 0
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