./iterations/neb0_image09_iter249.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 {} {0.472437105488 0.214415882378 0.494394781304} O1 1 1
14 {} {0.33333427197 0.214900245967 0.581646183044} Si1 2 1
14 {} {0.606625603104 0.295460100727 0.445729676605} Si2 3 1
8 {} {0.570351727639 0.450777888231 0.406004347262} O2 4 1
8 {} {0.322809424361 0.349931199436 0.675045595313} O3 5 1
14 {} {0.300606309406 0.513035417188 0.672182924555} Si3 6 1
14 {} {0.511781969354 0.59688771165 0.45254803084} Si4 7 1
1 {} {0.334183481523 0.0973990230146 0.672196060012} H1 8 1
1 {} {0.219034135627 0.210454208088 0.486291950328} H2 9 1
1 {} {0.658903919317 0.228479586931 0.324231248261} H3 10 1
1 {} {0.706033226129 0.295144822471 0.556679900706} H4 11 1
1 {} {0.155757835511 0.544130339683 0.659366263927} H5 12 1
1 {} {0.358781735341 0.567232838463 0.798009797929} H6 13 1
1 {} {0.315189084749 0.915836041979 0.433834262009} H7 14 1
1 {} {0.47513794723 0.672751736439 0.330159320025} H8 15 1
1 {} {0.614983511937 0.667132400508 0.534163808564} H10 16 1
8 {} {0.375124756763 0.580001413227 0.542362377298} O 17 1
1 {} {0.27901010128 0.858547080361 0.466211115036} 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