iterations/neb0_image09_iter26.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.471646336567 0.214823931892 0.494883022779} O1 1 1
14 {} {0.33615037104 0.217577650284 0.587423634775} Si1 2 1
14 {} {0.603056170769 0.298945091553 0.444463768426} Si2 3 1
8 {} {0.558707702177 0.451032797823 0.400914932454} O2 4 1
8 {} {0.328345800813 0.35608814691 0.674364375252} O3 5 1
14 {} {0.294940510353 0.517042856169 0.670074655033} Si3 6 1
14 {} {0.506511626338 0.598980848921 0.450320962765} Si4 7 1
1 {} {0.342325219684 0.104715328929 0.684210851804} H1 8 1
1 {} {0.217919967126 0.207615394565 0.496863639496} H2 9 1
1 {} {0.658559613321 0.228267280031 0.326119787485} H3 10 1
1 {} {0.70294370989 0.307240561377 0.554773651648} H4 11 1
1 {} {0.148230921231 0.533975586755 0.661758356039} H5 12 1
1 {} {0.346066854866 0.572837600816 0.797063334785} H6 13 1
1 {} {0.322334742101 0.880807975964 0.414349653431} H7 14 1
1 {} {0.487224928782 0.674735532834 0.322751297038} H8 15 1
1 {} {0.609307675255 0.665478193784 0.534599217475} H10 16 1
8 {} {0.368929296508 0.586475487426 0.536446611765} O 17 1
1 {} {0.306884713106 0.855877682985 0.47967624242} 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
12 5 0 0
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 0
15 6 0 0
16 6 0 0
4 1 0 0
3 2 0 0
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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