./iterations/neb0_image09_iter67.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 {} {0.472438470643 0.212732090079 0.494615714261} O1 1 1
14 {} {0.336188651607 0.216283984298 0.58650369058} Si1 2 1
14 {} {0.603038941646 0.298859772997 0.445078489336} Si2 3 1
8 {} {0.559868527523 0.451641927732 0.40215936583} O2 4 1
8 {} {0.329012919048 0.355012060391 0.674619951901} O3 5 1
14 {} {0.296610909048 0.516289530196 0.669322452808} Si3 6 1
14 {} {0.506640314421 0.599057577899 0.451104306711} Si4 7 1
1 {} {0.34011867247 0.102509796091 0.681622683358} H1 8 1
1 {} {0.218340280877 0.209030151777 0.496061812546} H2 9 1
1 {} {0.658798768743 0.232146422027 0.324787219453} H3 10 1
1 {} {0.701860766083 0.306603832042 0.556477652337} H4 11 1
1 {} {0.150277872352 0.538293209748 0.655387898079} H5 12 1
1 {} {0.351325201959 0.576756945859 0.793732335226} H6 13 1
1 {} {0.323608910427 0.878041925125 0.413222374556} H7 14 1
1 {} {0.475932399347 0.678273634876 0.329529983288} H8 15 1
1 {} {0.610719916695 0.663658014104 0.536078436277} H10 16 1
8 {} {0.368085344134 0.585231254879 0.538571151165} O 17 1
1 {} {0.307219299265 0.852095810422 0.482182462678} 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