./iterations/neb0_image09_iter66.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472405961966 0.212571835599 0.494568991408} O1 1 1
14 {} {0.336211703498 0.216219718358 0.586454631598} Si1 2 1
14 {} {0.603039525791 0.298882018386 0.44506645545} Si2 3 1
8 {} {0.559917235015 0.451604494391 0.402209137036} O2 4 1
8 {} {0.329076170562 0.355135542657 0.674610288171} O3 5 1
14 {} {0.296653399533 0.516310738847 0.669233499523} Si3 6 1
14 {} {0.506692773368 0.599083870122 0.451065180644} Si4 7 1
1 {} {0.340169050204 0.102528635538 0.681706763912} H1 8 1
1 {} {0.218265848944 0.209012264241 0.49606610569} H2 9 1
1 {} {0.65876063896 0.232117050335 0.324790363215} H3 10 1
1 {} {0.70190266558 0.306740775087 0.556442870728} H4 11 1
1 {} {0.150264465926 0.538350222028 0.655353231198} H5 12 1
1 {} {0.351314893933 0.576828816159 0.793684729127} H6 13 1
1 {} {0.323668001981 0.87805642329 0.412994663941} H7 14 1
1 {} {0.47596330461 0.678164221612 0.329545959297} H8 15 1
1 {} {0.610657515968 0.663675461484 0.536123901657} H10 16 1
8 {} {0.367915705458 0.58521949396 0.538756089008} O 17 1
1 {} {0.307207305378 0.852016359183 0.482385119911} 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
12 5 0 0
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 0
15 6 0 0
16 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
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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