./iterations/neb0_image03_iter221.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.457124207297 0.265851857192 0.490809516371} O1 1 1
14 {} {0.324133108949 0.237861631964 0.581805645411} Si1 2 1
14 {} {0.583063759933 0.350849155213 0.430055798423} Si2 3 1
8 {} {0.532881025141 0.494318934451 0.369512644014} O2 4 1
8 {} {0.305339515786 0.351372322262 0.699445011296} O3 5 1
14 {} {0.257821340531 0.504181289498 0.73654208765} Si3 6 1
14 {} {0.562718037228 0.656356904676 0.362405268873} Si4 7 1
1 {} {0.340203823655 0.10628689714 0.649097423647} H1 8 1
1 {} {0.20645916058 0.239886280325 0.490341222994} H2 9 1
1 {} {0.641631961144 0.269822014308 0.320570121689} H3 10 1
1 {} {0.682978915256 0.37580598272 0.537632673881} H4 11 1
1 {} {0.109044950189 0.510827502406 0.735737719186} H5 12 1
1 {} {0.317357173358 0.536617806075 0.868121917363} H6 13 1
1 {} {0.435466167764 0.724033188406 0.327006233654} H7 14 1
1 {} {0.663704300653 0.683482401377 0.255879218011} H8 15 1
1 {} {0.613745783409 0.708197581423 0.492166058566} H10 16 1
8 {} {0.316840247901 0.615432389262 0.628809312315} O 17 1
1 {} {0.259572718103 0.641333924357 0.555119828195} 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