./iterations/neb0_image05_iter62.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 {} {0.468743064939 0.222055022186 0.482398065257} O1 1 1
14 {} {0.331532786527 0.229399980219 0.572956315821} Si1 2 1
14 {} {0.589693661442 0.328151768039 0.442604881063} Si2 3 1
8 {} {0.525629836369 0.47599229507 0.413189041965} O2 4 1
8 {} {0.330861994159 0.362590736835 0.670613769311} O3 5 1
14 {} {0.287447760966 0.517941372257 0.687977671674} Si3 6 1
14 {} {0.503572574882 0.641661455247 0.431519944438} Si4 7 1
1 {} {0.3294700916 0.112305831469 0.664537077175} H1 8 1
1 {} {0.213237420962 0.232742479725 0.480655398615} H2 9 1
1 {} {0.654189407928 0.271679199934 0.320303882416} H3 10 1
1 {} {0.68897123142 0.34043379827 0.5549880622} H4 11 1
1 {} {0.142583148824 0.537181736388 0.684245039863} H5 12 1
1 {} {0.345412511395 0.569663560475 0.812059448009} H6 13 1
1 {} {0.393672082472 0.762385887539 0.424299799778} H7 14 1
1 {} {0.531296567424 0.680400539175 0.290769390106} H8 15 1
1 {} {0.598884167139 0.695576621018 0.533034661647} H10 16 1
8 {} {0.347360331832 0.599769724229 0.554923507667} O 17 1
1 {} {0.32752746744 0.692585945591 0.509982022182} 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