./iterations/neb0_image09_iter145.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 {} {0.47216265822 0.21612758306 0.494557035881} O1 1 1
14 {} {0.33426889184 0.215910668865 0.58374031882} Si1 2 1
14 {} {0.604371361601 0.299282002217 0.444379929224} Si2 3 1
8 {} {0.565739622419 0.452897571035 0.400073359847} O2 4 1
8 {} {0.325573541133 0.350756953924 0.67787972051} O3 5 1
14 {} {0.298519010322 0.513266641375 0.672024624916} Si3 6 1
14 {} {0.509015802311 0.598164177858 0.451787884399} Si4 7 1
1 {} {0.337140298511 0.0975587534355 0.673436316914} H1 8 1
1 {} {0.217879267138 0.212129793352 0.490428794298} H2 9 1
1 {} {0.659373416984 0.229558692293 0.325752856629} H3 10 1
1 {} {0.70305531694 0.304659638866 0.555609158918} H4 11 1
1 {} {0.153070649206 0.540529652576 0.656658218361} H5 12 1
1 {} {0.354257565175 0.570976637038 0.797204467399} H6 13 1
1 {} {0.321264648465 0.894760599944 0.419648593108} H7 14 1
1 {} {0.473263307459 0.677663756453 0.33195124389} H8 15 1
1 {} {0.613041331244 0.664448185894 0.534905220574} H10 16 1
8 {} {0.372613326531 0.580284379578 0.542295442572} O 17 1
1 {} {0.295476116123 0.85354225154 0.478724660211} 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