./iterations/neb0_image04_iter274.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.468487239744 0.262435087876 0.492125764534} O1 1 1
14 {} {0.327185484583 0.230191717127 0.566867968887} Si1 2 1
14 {} {0.600215092319 0.348203669974 0.449124576207} Si2 3 1
8 {} {0.564172312397 0.506353409132 0.431512363554} O2 4 1
8 {} {0.27926117404 0.349642673513 0.667342867637} O3 5 1
14 {} {0.235037378712 0.503885691424 0.699146522866} Si3 6 1
14 {} {0.588119315352 0.665424363748 0.402588938358} Si4 7 1
1 {} {0.34411287232 0.108053401464 0.649284677515} H1 8 1
1 {} {0.222143775158 0.213734211042 0.463288901243} H2 9 1
1 {} {0.64902233153 0.29576268943 0.319819954647} H3 10 1
1 {} {0.701518994933 0.332986975818 0.555961280947} H4 11 1
1 {} {0.10697551803 0.502113743427 0.776477161137} H5 12 1
1 {} {0.342090968206 0.570428695825 0.778870805054} H6 13 1
1 {} {0.46771283379 0.741858245186 0.445901148425} H7 14 1
1 {} {0.609894113167 0.68526040032 0.256772101439} H8 15 1
1 {} {0.706083515042 0.713794085219 0.479232985616} H10 16 1
8 {} {0.218698501537 0.577063456571 0.552003580508} O 17 1
1 {} {0.179354507224 0.665325235845 0.5447367183} 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