./iterations/neb0_image03_iter291.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 {} {0.458456933746 0.260583252511 0.480684873876} O1 1 1
14 {} {0.325322698388 0.241123870134 0.574194513431} Si1 2 1
14 {} {0.590656629096 0.344155333116 0.431848542966} Si2 3 1
8 {} {0.54645934638 0.491084248848 0.374360218015} O2 4 1
8 {} {0.306138559255 0.364937291166 0.679907192157} O3 5 1
14 {} {0.251069579998 0.511270421815 0.730241489004} Si3 6 1
14 {} {0.564533820174 0.655097908277 0.373926412676} Si4 7 1
1 {} {0.341373768299 0.1149915656 0.65237957163} H1 8 1
1 {} {0.207751517622 0.234772126538 0.481414492678} H2 9 1
1 {} {0.653334801818 0.267925962013 0.321390223513} H3 10 1
1 {} {0.684712252564 0.360928537032 0.546730931389} H4 11 1
1 {} {0.10369039246 0.499774309718 0.750655979668} H5 12 1
1 {} {0.321126903115 0.549059840651 0.855586046932} H6 13 1
1 {} {0.427526054311 0.716981746478 0.370339018984} H7 14 1
1 {} {0.638784983649 0.696959732001 0.25152344278} H8 15 1
1 {} {0.635344275242 0.699356848376 0.497561297473} H10 16 1
8 {} {0.290645495447 0.63288098656 0.62571205065} O 17 1
1 {} {0.263158045385 0.630634004682 0.532601289052} 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