./iterations/neb0_image07_iter60.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.470600731089 0.218266777559 0.48313898685} O1 1 1
14 {} {0.332233692473 0.225085484612 0.572911146048} Si1 2 1
14 {} {0.59909282057 0.313342628409 0.44282028251} Si2 3 1
8 {} {0.549681046045 0.463815202707 0.402477537858} O2 4 1
8 {} {0.332520301242 0.355351725367 0.67411239659} O3 5 1
14 {} {0.297804375815 0.516135926611 0.680290000572} Si3 6 1
14 {} {0.500913500128 0.610382231246 0.455991827023} Si4 7 1
1 {} {0.32768099455 0.10443067073 0.659705984567} H1 8 1
1 {} {0.215181135778 0.233866844677 0.479416896558} H2 9 1
1 {} {0.6629235473 0.252955526859 0.323423302385} H3 10 1
1 {} {0.693052345356 0.328397008961 0.557837125924} H4 11 1
1 {} {0.150503390499 0.537138607718 0.674539317573} H5 12 1
1 {} {0.353852487728 0.571211495176 0.806555123359} H6 13 1
1 {} {0.347131778935 0.813065204028 0.418198169067} H7 14 1
1 {} {0.483957475233 0.684242872564 0.328148906733} H8 15 1
1 {} {0.601362730254 0.679543734185 0.540592313237} H10 16 1
8 {} {0.36729904668 0.588824099357 0.550190045058} O 17 1
1 {} {0.324294748688 0.776461922649 0.480708602205} 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