./iterations/neb0_image06_iter28.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.468830034698 0.226447225872 0.481554216191} O1 1 1
14 {} {0.33184050774 0.233005052642 0.572505834362} Si1 2 1
14 {} {0.597399695674 0.31953219941 0.438515017925} Si2 3 1
8 {} {0.544183996513 0.469636101717 0.395588104575} O2 4 1
8 {} {0.332397534023 0.366608070943 0.666763231925} O3 5 1
14 {} {0.289437000887 0.523720735078 0.686127758724} Si3 6 1
14 {} {0.49807330402 0.621171889184 0.442506666968} Si4 7 1
1 {} {0.329424930133 0.111803474597 0.659291616647} H1 8 1
1 {} {0.215805914399 0.235315224629 0.478499644876} H2 9 1
1 {} {0.66610747094 0.243818994515 0.327721284318} H3 10 1
1 {} {0.69327547725 0.330955243256 0.553503379872} H4 11 1
1 {} {0.140434033704 0.518763383846 0.703726492048} H5 12 1
1 {} {0.339289184106 0.556320197405 0.821263612421} H6 13 1
1 {} {0.351712991778 0.793527054155 0.420777691671} H7 14 1
1 {} {0.526396922487 0.683976976515 0.301245561014} H8 15 1
1 {} {0.591706496798 0.681936321526 0.535392097199} H10 16 1
8 {} {0.358966124133 0.605403258231 0.557631045555} O 17 1
1 {} {0.334804523186 0.750576547243 0.488444732722} 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