./iterations/neb0_image07_iter160.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.470762292204 0.241497902893 0.492379175789} O1 1 1
14 {} {0.332191056259 0.22181117363 0.577956779597} Si1 2 1
14 {} {0.61596146318 0.30631527081 0.451621991452} Si2 3 1
8 {} {0.599530370096 0.46694967523 0.418918231689} O2 4 1
8 {} {0.30643238676 0.348037351458 0.682021647764} O3 5 1
14 {} {0.291286476503 0.510368904625 0.656452976634} Si3 6 1
14 {} {0.496065330051 0.594757137366 0.439823881694} Si4 7 1
1 {} {0.341616712734 0.100307798106 0.661332445624} H1 8 1
1 {} {0.221658669566 0.21453451113 0.479178816165} H2 9 1
1 {} {0.664182359139 0.235756756359 0.329426027584} H3 10 1
1 {} {0.712875203396 0.281692785496 0.563983610267} H4 11 1
1 {} {0.146333591368 0.548732342705 0.658067537146} H5 12 1
1 {} {0.370342399386 0.586594911373 0.758807273854} H6 13 1
1 {} {0.349223055861 0.891499957377 0.490354578261} H7 14 1
1 {} {0.452620528671 0.655467256957 0.310825034259} H8 15 1
1 {} {0.566996854075 0.690990149195 0.526737883666} H10 16 1
8 {} {0.354401032491 0.545506594629 0.507985217076} O 17 1
1 {} {0.31760620831 0.83169733742 0.525184730462} 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