iterations/neb0_image03_iter11.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.468739768269 0.233964915431 0.478652850007} O1 1 1
14 {} {0.330028345856 0.2379632951 0.564334250446} Si1 2 1
14 {} {0.602100221581 0.320821625234 0.435601533263} Si2 3 1
8 {} {0.556561562129 0.470613611054 0.376413143148} O2 4 1
8 {} {0.331376009683 0.375694964566 0.664435031634} O3 5 1
14 {} {0.2753044587 0.523142512938 0.707200389287} Si3 6 1
14 {} {0.511516057075 0.636943168635 0.389058302847} Si4 7 1
1 {} {0.324810637736 0.119280046509 0.652980402697} H1 8 1
1 {} {0.214361577176 0.246393966089 0.471798548173} H2 9 1
1 {} {0.670347341699 0.241841429194 0.328288752455} H3 10 1
1 {} {0.691092055827 0.336788103781 0.555125016549} H4 11 1
1 {} {0.124774185311 0.500801917599 0.723224506166} H5 12 1
1 {} {0.343783057616 0.544140062535 0.842538023038} H6 13 1
1 {} {0.378212194756 0.732948739639 0.361696704216} H7 14 1
1 {} {0.58490404219 0.697879190736 0.276366907903} H8 15 1
1 {} {0.574589494396 0.68180079755 0.519248514934} H10 16 1
8 {} {0.304119363208 0.633609709624 0.600819405277} O 17 1
1 {} {0.32346576206 0.737889910141 0.583275710145} 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
1 0 0 0
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
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
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