./iterations/neb0_image04_iter281.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.468518339923 0.261688366217 0.491885519323} O1 1 1
14 {} {0.326252162064 0.230588119377 0.566555405739} Si1 2 1
14 {} {0.600919509549 0.347855347936 0.449641861803} Si2 3 1
8 {} {0.564494382595 0.506130056805 0.43403650842} O2 4 1
8 {} {0.279332029164 0.350854985853 0.666848537291} O3 5 1
14 {} {0.233741470614 0.504679411686 0.698955199776} Si3 6 1
14 {} {0.588731357106 0.665416594184 0.403579529279} Si4 7 1
1 {} {0.344417911778 0.109059304587 0.650186639913} H1 8 1
1 {} {0.223292355951 0.212504697341 0.461536526273} H2 9 1
1 {} {0.649781542074 0.296614778892 0.318876217368} H3 10 1
1 {} {0.702915985526 0.331164632616 0.556808653224} H4 11 1
1 {} {0.107438853115 0.501500337814 0.778279709713} H5 12 1
1 {} {0.342128903127 0.572814593278 0.775419181156} H6 13 1
1 {} {0.46995326933 0.741883807333 0.448894995806} H7 14 1
1 {} {0.608410955602 0.684598418432 0.256523978192} H8 15 1
1 {} {0.709458588606 0.713132049717 0.478237868664} H10 16 1
8 {} {0.21337148587 0.576389064527 0.55130799391} O 17 1
1 {} {0.176926823993 0.665643180181 0.543484002787} 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