./iterations/neb0_image05_iter32.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.469517505111 0.226059671854 0.483524894821} O1 1 1
14 {} {0.33260269362 0.235003803364 0.573849249502} Si1 2 1
14 {} {0.594276676454 0.324106660095 0.438716835118} Si2 3 1
8 {} {0.535899740748 0.475720115133 0.400923237852} O2 4 1
8 {} {0.332784678547 0.37544050492 0.659314430616} O3 5 1
14 {} {0.283052020117 0.526284050751 0.690093768616} Si3 6 1
14 {} {0.5046126326 0.640896510995 0.421936525902} Si4 7 1
1 {} {0.330811445439 0.114728391337 0.662713113748} H1 8 1
1 {} {0.216065182397 0.232395075006 0.481616218972} H2 9 1
1 {} {0.66286263389 0.246779007409 0.32822099292} H3 10 1
1 {} {0.692562732048 0.330124158986 0.551887028997} H4 11 1
1 {} {0.137164994623 0.522747860889 0.700557146848} H5 12 1
1 {} {0.339538177445 0.560655548779 0.820376911778} H6 13 1
1 {} {0.371473182932 0.770361406525 0.425106879049} H7 14 1
1 {} {0.541416933426 0.684395855322 0.284239527535} H8 15 1
1 {} {0.592046664041 0.680932421517 0.533867602733} H10 16 1
8 {} {0.342953528397 0.620034181291 0.571145736994} O 17 1
1 {} {0.330444709398 0.705852733522 0.502967879759} 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