./iterations/neb0_image03_iter30.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 {} {0.469975402508 0.232775527846 0.479817262395} O1 1 1
14 {} {0.331954304994 0.240186999661 0.567554400392} Si1 2 1
14 {} {0.593448938476 0.331616144862 0.433607642073} Si2 3 1
8 {} {0.535087243063 0.477624897598 0.385249905084} O2 4 1
8 {} {0.332679061927 0.37740700985 0.659534780362} O3 5 1
14 {} {0.274491330702 0.522545925871 0.707233039854} Si3 6 1
14 {} {0.523811073626 0.643135911426 0.389268772912} Si4 7 1
1 {} {0.326617433392 0.119771215736 0.655320264871} H1 8 1
1 {} {0.215342628301 0.241745182379 0.475831433156} H2 9 1
1 {} {0.664681142291 0.250456013355 0.329232183776} H3 10 1
1 {} {0.688158012648 0.338312085981 0.550183303403} H4 11 1
1 {} {0.127902754652 0.510490677216 0.719158717058} H5 12 1
1 {} {0.340793538515 0.553170954604 0.83643819352} H6 13 1
1 {} {0.3901197772 0.704156168784 0.378643089011} H7 14 1
1 {} {0.591803347687 0.696268850384 0.268564755555} H8 15 1
1 {} {0.575223558258 0.682618089821 0.520895685866} H10 16 1
8 {} {0.311150283748 0.626854533498 0.586163467997} O 17 1
1 {} {0.316846292619 0.723381778537 0.588361091155} 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