./iterations/neb0_image06_iter30.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	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
8 {} {0.468686107954 0.226381720349 0.481640488459} O1 1 1
14 {} {0.331953412475 0.232674067326 0.572199919139} Si1 2 1
14 {} {0.597263800183 0.319858063913 0.438482884539} Si2 3 1
8 {} {0.543854394853 0.469231781312 0.396143397977} O2 4 1
8 {} {0.332283860071 0.36725355221 0.666881608609} O3 5 1
14 {} {0.290032470416 0.523355590685 0.685319554065} Si3 6 1
14 {} {0.497552275475 0.621611207186 0.442767525058} Si4 7 1
1 {} {0.329393459318 0.111906023971 0.659165447611} H1 8 1
1 {} {0.21587122312 0.235353176464 0.478597071232} H2 9 1
1 {} {0.665888385303 0.244340692613 0.327816007221} H3 10 1
1 {} {0.693100727923 0.331105418796 0.553352028456} H4 11 1
1 {} {0.140867682689 0.519335713737 0.703242779041} H5 12 1
1 {} {0.33938544686 0.556761843634 0.820916093427} H6 13 1
1 {} {0.352149055116 0.793653265924 0.420428767103} H7 14 1
1 {} {0.525475003768 0.683627681066 0.30221996781} H8 15 1
1 {} {0.5920183945 0.682171945953 0.535695151202} H10 16 1
8 {} {0.35957434957 0.604159994307 0.557836643026} O 17 1
1 {} {0.334736092657 0.749736211373 0.488352654187} 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
0 0 1 {0 0 0} 0
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2 14 6 {0 0 0} 0
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