./iterations/neb0_image01_iter7.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 {} {0.467588332446 0.244659969411 0.471397678691} O1 1 1
14 {} {0.327299036245 0.2507749781 0.555829084866} Si1 2 1
14 {} {0.602669668439 0.328406234512 0.432151284996} Si2 3 1
8 {} {0.563152328707 0.474844263358 0.365103460496} O2 4 1
8 {} {0.331402879133 0.378901105923 0.657865381987} O3 5 1
14 {} {0.266740062249 0.51295055723 0.729239995589} Si3 6 1
14 {} {0.523612635369 0.636359572709 0.370010036749} Si4 7 1
1 {} {0.316312676532 0.127410830148 0.637464686605} H1 8 1
1 {} {0.21379359549 0.265367566633 0.460923463064} H2 9 1
1 {} {0.675610494097 0.248894395989 0.330062458387} H3 10 1
1 {} {0.684750351351 0.350664809832 0.554601813908} H4 11 1
1 {} {0.120685344041 0.487131133174 0.748841290798} H5 12 1
1 {} {0.341509285471 0.530397239639 0.85612221982} H6 13 1
1 {} {0.388367828883 0.685357878637 0.333908634628} H7 14 1
1 {} {0.613110792669 0.704401399149 0.27232504337} H8 15 1
1 {} {0.559235522554 0.690000747094 0.506383357514} H10 16 1
8 {} {0.27232614546 0.64311943706 0.633400705665} O 17 1
1 {} {0.341919158275 0.712875837945 0.615427399971} 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