./iterations/neb0_image01_iter279.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.461180354704 0.260181984418 0.480666714173} O1 1 1
14 {} {0.327048057918 0.247842008044 0.574100118325} Si1 2 1
14 {} {0.594119386683 0.34003535864 0.426541732111} Si2 3 1
8 {} {0.551917704038 0.479045172109 0.350570035045} O2 4 1
8 {} {0.322643912046 0.367003239827 0.687048777839} O3 5 1
14 {} {0.253642854177 0.510522292739 0.731437129083} Si3 6 1
14 {} {0.541226482964 0.64327741649 0.358668384275} Si4 7 1
1 {} {0.334081116076 0.116696243659 0.644691286029} H1 8 1
1 {} {0.207036193627 0.25620271404 0.485264139529} H2 9 1
1 {} {0.660798206591 0.252087410584 0.326951404167} H3 10 1
1 {} {0.682680349275 0.372382575455 0.542424715991} H4 11 1
1 {} {0.106367160463 0.493087248052 0.743718754088} H5 12 1
1 {} {0.319285940038 0.550374716213 0.859133398045} H6 13 1
1 {} {0.409732937041 0.684450233517 0.302357895078} H7 14 1
1 {} {0.653008169608 0.704829288223 0.281388200532} H8 15 1
1 {} {0.5507919126 0.689207834776 0.501441756131} H10 16 1
8 {} {0.275076947264 0.628495077698 0.616666014931} O 17 1
1 {} {0.359448231161 0.676796806282 0.617987435563} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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