iterations/neb0_image03_iter14.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 {} {0.469073463923 0.233248886597 0.478590821543} O1 1 1
14 {} {0.330085964239 0.239708218232 0.566108409145} Si1 2 1
14 {} {0.601588333146 0.321772365569 0.435408268539} Si2 3 1
8 {} {0.554349625125 0.471961287923 0.37718888357} O2 4 1
8 {} {0.331851926626 0.37383973928 0.66289431474} O3 5 1
14 {} {0.274712007375 0.52294243693 0.708718490584} Si3 6 1
14 {} {0.511195762078 0.638485258909 0.389121163997} Si4 7 1
1 {} {0.32504908631 0.11870032026 0.653530484468} H1 8 1
1 {} {0.214153819854 0.245674633935 0.471943373116} H2 9 1
1 {} {0.670063432075 0.241905173452 0.328249541994} H3 10 1
1 {} {0.691200499894 0.336452458809 0.555042068873} H4 11 1
1 {} {0.125229812016 0.501727880892 0.722513844768} H5 12 1
1 {} {0.343501747655 0.544926929539 0.841850110036} H6 13 1
1 {} {0.380066337214 0.730503484583 0.363905904922} H7 14 1
1 {} {0.58518350087 0.697780029854 0.27532507736} H8 15 1
1 {} {0.574673628156 0.681436210006 0.519825011299} H10 16 1
8 {} {0.305704083926 0.635755526003 0.597380330748} O 17 1
1 {} {0.322403103942 0.735697127798 0.583461893121} 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