iterations/neb0_image07_iter171.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.471192408402 0.241071442786 0.493242698665} O1 1 1
14 {} {0.332352423864 0.222186205034 0.579008471356} Si1 2 1
14 {} {0.616141288326 0.304238662248 0.451679165543} Si2 3 1
8 {} {0.59898462229 0.464612720515 0.418383726247} O2 4 1
8 {} {0.30438033034 0.347948792693 0.682914381659} O3 5 1
14 {} {0.291042537922 0.510255772574 0.655694180677} Si3 6 1
14 {} {0.495919168073 0.592110013969 0.437932992427} Si4 7 1
1 {} {0.343917993026 0.100160759236 0.662325955016} H1 8 1
1 {} {0.22219868993 0.213641398749 0.479323163547} H2 9 1
1 {} {0.664291099421 0.237133230619 0.328180934065} H3 10 1
1 {} {0.712824221766 0.28219772349 0.564013452927} H4 11 1
1 {} {0.147789515404 0.54882198335 0.657207192065} H5 12 1
1 {} {0.368873983351 0.584538643337 0.757963595744} H6 13 1
1 {} {0.347997129379 0.8986212462 0.494860130081} H7 14 1
1 {} {0.458728321024 0.650242099027 0.30607557708} H8 15 1
1 {} {0.563243294167 0.69153862525 0.526462812247} H10 16 1
8 {} {0.353614382676 0.544110932637 0.507770968125} O 17 1
1 {} {0.316594571802 0.83908756331 0.528018433394} 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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2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 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
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3 16 5 {0 0 0} 0
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5 4 1 {0 0 0} 0
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7 7 1 {0 0 0} 0
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
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end