./iterations/neb0_image07_iter83.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.470514006653 0.221109139484 0.488667972455} O1 1 1
14 {} {0.331484741322 0.223865516784 0.576948309654} Si1 2 1
14 {} {0.599356923056 0.312763229561 0.444448594404} Si2 3 1
8 {} {0.553345747617 0.463995048027 0.40309214207} O2 4 1
8 {} {0.32799591398 0.353492352243 0.678660535675} O3 5 1
14 {} {0.29896661135 0.515860810811 0.678223179456} Si3 6 1
14 {} {0.504029920944 0.610929392527 0.454072548033} Si4 7 1
1 {} {0.326599457651 0.101438488842 0.660314252348} H1 8 1
1 {} {0.216965648512 0.231860095179 0.482200584879} H2 9 1
1 {} {0.660919843762 0.256429678648 0.321748577619} H3 10 1
1 {} {0.692876526192 0.322386688651 0.560291348425} H4 11 1
1 {} {0.152226531049 0.540312996339 0.669124214669} H5 12 1
1 {} {0.354933601502 0.569524414787 0.805428686868} H6 13 1
1 {} {0.351868509958 0.818875069391 0.424821012753} H7 14 1
1 {} {0.482068772455 0.683251325824 0.326422890355} H8 15 1
1 {} {0.605433836556 0.681723591945 0.537090772502} H10 16 1
8 {} {0.369493408163 0.587398626688 0.547496502755} O 17 1
1 {} {0.31100612477 0.77730150023 0.472005821202} 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