iterations/neb0_image08_iter157.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.470663408942 0.228474848855 0.493326150274} O1 1 1
14 {} {0.329978317188 0.220229941339 0.576933595243} Si1 2 1
14 {} {0.611198997616 0.301527143965 0.449564938289} Si2 3 1
8 {} {0.585940124421 0.459530315172 0.409772258091} O2 4 1
8 {} {0.317242848446 0.348441552756 0.67966834396} O3 5 1
14 {} {0.301375474575 0.51215173835 0.673212436931} Si3 6 1
14 {} {0.51124526764 0.600407600448 0.450659862833} Si4 7 1
1 {} {0.329165140816 0.0955326020257 0.65768080634} H1 8 1
1 {} {0.218349705662 0.223169064774 0.478893367294} H2 9 1
1 {} {0.662822014741 0.23002149866 0.329831264205} H3 10 1
1 {} {0.707386307128 0.292627716382 0.563671911065} H4 11 1
1 {} {0.157330905773 0.548583882814 0.659227766502} H5 12 1
1 {} {0.364434243747 0.568446779064 0.796393622137} H6 13 1
1 {} {0.319507272151 0.889462238843 0.460901330833} H7 14 1
1 {} {0.464719632432 0.670340169241 0.327606689637} H8 15 1
1 {} {0.607375385485 0.682462326787 0.529984072097} H10 16 1
8 {} {0.376968111938 0.570934959238 0.540312589639} O 17 1
1 {} {0.274383083584 0.830173498211 0.453416801304} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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