iterations/neb0_image05_iter65.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.468437877575 0.221997653588 0.482937550739} O1 1 1
14 {} {0.331415898064 0.228792795836 0.573255805613} Si1 2 1
14 {} {0.58955016403 0.328147645664 0.442743806067} Si2 3 1
8 {} {0.525819881548 0.475843289689 0.41402008015} O2 4 1
8 {} {0.330362933474 0.361608987797 0.671559395457} O3 5 1
14 {} {0.287878824086 0.517764248014 0.687148139792} Si3 6 1
14 {} {0.503514702739 0.64201238155 0.431316799307} Si4 7 1
1 {} {0.329186088908 0.111553751717 0.664230091826} H1 8 1
1 {} {0.213666622658 0.232768047712 0.481008491645} H2 9 1
1 {} {0.653977295747 0.272984458433 0.319630164848} H3 10 1
1 {} {0.688635177325 0.340565290564 0.555370919892} H4 11 1
1 {} {0.143018196699 0.537853891058 0.682889317963} H5 12 1
1 {} {0.346219990619 0.570079568578 0.811042374818} H6 13 1
1 {} {0.393721862071 0.763045327328 0.42522359374} H7 14 1
1 {} {0.531550434552 0.679834792095 0.290138490177} H8 15 1
1 {} {0.599284714242 0.696131546505 0.533102817257} H10 16 1
8 {} {0.34697043598 0.599133862941 0.554022838299} O 17 1
1 {} {0.326875005729 0.692400412868 0.51141730223} 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