iterations/neb0_image04_iter286.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.468552227231 0.260037182742 0.491142517619} O1 1 1
14 {} {0.325698345094 0.231495980036 0.566555706699} Si1 2 1
14 {} {0.601728416435 0.346498927329 0.450117194934} Si2 3 1
8 {} {0.56479428497 0.505312930049 0.436903918766} O2 4 1
8 {} {0.280101396286 0.353059178727 0.665881249004} O3 5 1
14 {} {0.232202118168 0.506539973298 0.698001881713} Si3 6 1
14 {} {0.589716085457 0.665228027843 0.404872755605} Si4 7 1
1 {} {0.344384080085 0.110957636769 0.651975068995} H1 8 1
1 {} {0.224931057267 0.211316879969 0.459283971183} H2 9 1
1 {} {0.651529112384 0.296807857972 0.317806195517} H3 10 1
1 {} {0.704773373596 0.32849451214 0.557810979548} H4 11 1
1 {} {0.108159195664 0.500124534096 0.780977046479} H5 12 1
1 {} {0.34195307738 0.575764327678 0.770874981321} H6 13 1
1 {} {0.471037287448 0.742869639295 0.452165910432} H7 14 1
1 {} {0.605723192578 0.683326192668 0.257492888583} H8 15 1
1 {} {0.712844456979 0.711450175703 0.476649506173} H10 16 1
8 {} {0.206595556293 0.576082318458 0.550338871828} O 17 1
1 {} {0.175362663378 0.66715146381 0.542207701592} 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