./iterations/neb0_image02_iter59.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.468140422437 0.236120756309 0.475265595609} O1 1 1
14 {} {0.329463972536 0.244566472525 0.563180527111} Si1 2 1
14 {} {0.595910541066 0.330699149466 0.431983484662} Si2 3 1
8 {} {0.544352034418 0.474695558471 0.37417466685} O2 4 1
8 {} {0.333063264698 0.376445820141 0.660909634887} O3 5 1
14 {} {0.267083600411 0.516857107356 0.715468362051} Si3 6 1
14 {} {0.528073784061 0.638385321173 0.380246236824} Si4 7 1
1 {} {0.322923581352 0.122655904617 0.648735342857} H1 8 1
1 {} {0.212880001045 0.252513174117 0.47005270877} H2 9 1
1 {} {0.666695522614 0.259674750882 0.322563878703} H3 10 1
1 {} {0.683250053265 0.354165848274 0.550628098956} H4 11 1
1 {} {0.121314075291 0.497761506023 0.737291567519} H5 12 1
1 {} {0.340690730813 0.55429967702 0.839106312454} H6 13 1
1 {} {0.387126319764 0.676916134605 0.357780182474} H7 14 1
1 {} {0.614001724402 0.698494075071 0.274390690144} H8 15 1
1 {} {0.575399995249 0.690671816518 0.512763801994} H10 16 1
8 {} {0.281463400602 0.635818750812 0.600798439581} O 17 1
1 {} {0.338253111747 0.711776132644 0.61571845742} 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
12 5 0 0
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
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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