./iterations/neb0_image09_iter146.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 {} {0.472151927077 0.216345800779 0.494649552712} O1 1 1
14 {} {0.334163909951 0.215831701951 0.583604174434} Si1 2 1
14 {} {0.604432473101 0.299233389434 0.444381468402} Si2 3 1
8 {} {0.566142466793 0.452932301553 0.399937829406} O2 4 1
8 {} {0.325410784453 0.350582398443 0.678014306813} O3 5 1
14 {} {0.298613613999 0.513078792188 0.672203217786} Si3 6 1
14 {} {0.508928915288 0.598018437053 0.451975095815} Si4 7 1
1 {} {0.337016708219 0.0972869055833 0.672984367796} H1 8 1
1 {} {0.217949940638 0.21225668422 0.490115111916} H2 9 1
1 {} {0.659441544745 0.229356773381 0.325853766467} H3 10 1
1 {} {0.703194409752 0.304259757535 0.555560266138} H4 11 1
1 {} {0.153227622284 0.540639636558 0.656746761878} H5 12 1
1 {} {0.354450254365 0.570515736653 0.79743862555} H6 13 1
1 {} {0.32095406254 0.895885024821 0.420446415731} H7 14 1
1 {} {0.473185327898 0.677722402654 0.331900659814} H8 15 1
1 {} {0.613184573936 0.664433992867 0.534792021198} H10 16 1
8 {} {0.372947133895 0.580162913544 0.542384460477} O 17 1
1 {} {0.294690460392 0.85397528497 0.478069727946} 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