iterations/neb0_image06_iter235.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.474513754543 0.23126183008 0.490470718378} O1 1 1
14 {} {0.329333307628 0.217507545163 0.564982277121} Si1 2 1
14 {} {0.60804281327 0.322545479607 0.462035019412} Si2 3 1
8 {} {0.578466937518 0.481279610696 0.485099024371} O2 4 1
8 {} {0.289098112668 0.351028297619 0.650640144261} O3 5 1
14 {} {0.283883302039 0.515001619549 0.650151603361} Si3 6 1
14 {} {0.490237843299 0.614020555945 0.448345999076} Si4 7 1
1 {} {0.334585020332 0.107373548349 0.662214007249} H1 8 1
1 {} {0.226930320865 0.190013679426 0.461729827863} H2 9 1
1 {} {0.649385856811 0.306067205527 0.321417416977} H3 10 1
1 {} {0.712869518215 0.289287601244 0.559729142377} H4 11 1
1 {} {0.145930685355 0.545601178007 0.699688304743} H5 12 1
1 {} {0.38421204632 0.574455576612 0.742874067087} H6 13 1
1 {} {0.388477656197 0.811769236906 0.524878025019} H7 14 1
1 {} {0.472341102796 0.643785582746 0.304300282657} H8 15 1
1 {} {0.590640326804 0.717256740621 0.494476518334} H10 16 1
8 {} {0.329414317096 0.577773413988 0.502183126386} O 17 1
1 {} {0.321723031524 0.776489253803 0.505842659408} 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