iterations/neb0_image08_iter182.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	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
8 {} {0.470986334126 0.227832930776 0.493220477368} O1 1 1
14 {} {0.329951467146 0.220664535137 0.576724352811} Si1 2 1
14 {} {0.612019520265 0.299834223115 0.450029419308} Si2 3 1
8 {} {0.589269022158 0.458025110362 0.411876945665} O2 4 1
8 {} {0.313910744665 0.347922835409 0.680128082198} O3 5 1
14 {} {0.300670823281 0.51190467603 0.672256887949} Si3 6 1
14 {} {0.512346062278 0.598036140387 0.450027877449} Si4 7 1
1 {} {0.330769511202 0.0972969179298 0.658877674507} H1 8 1
1 {} {0.218301719648 0.221706178518 0.478132640223} H2 9 1
1 {} {0.663302043468 0.231009379556 0.329028951197} H3 10 1
1 {} {0.708086818645 0.290743024728 0.563548723312} H4 11 1
1 {} {0.15747518036 0.549544938983 0.661550029686} H5 12 1
1 {} {0.363323980333 0.567831036893 0.794571862826} H6 13 1
1 {} {0.315173288764 0.896365604859 0.467645469822} H7 14 1
1 {} {0.469708599366 0.663876225285 0.324215182954} H8 15 1
1 {} {0.605487742962 0.68422299196 0.527623897496} H10 16 1
8 {} {0.377161407075 0.568932566019 0.538859030488} O 17 1
1 {} {0.27214199392 0.836768555284 0.452740288283} 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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1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 0 0
11 5 0 0
7 1 0 0
8 1 0 0
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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
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5 15 6 {0 0 0} 0
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7 3 2 {0 0 0} 0
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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	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end