./iterations/neb0_image08_iter48.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471121872402 0.215238172128 0.487489680247} O1 1 1
14 {} {0.334075451417 0.221071442766 0.577724849972} Si1 2 1
14 {} {0.601135989859 0.306279356227 0.443659956868} Si2 3 1
8 {} {0.555088155896 0.457595324453 0.400825457513} O2 4 1
8 {} {0.332619735229 0.355088271414 0.673316054986} O3 5 1
14 {} {0.296788195692 0.515923388995 0.674910263715} Si3 6 1
14 {} {0.5040711832 0.604868919 0.453449651698} Si4 7 1
1 {} {0.333762047888 0.104657480756 0.669373270956} H1 8 1
1 {} {0.216162709161 0.223272805312 0.486242231498} H2 9 1
1 {} {0.66209122818 0.241171546387 0.32508156588} H3 10 1
1 {} {0.697831609343 0.319809097663 0.556435813198} H4 11 1
1 {} {0.149538691505 0.536695223175 0.668294677154} H5 12 1
1 {} {0.352200597587 0.5735363315 0.800375478408} H6 13 1
1 {} {0.332860613302 0.834350268863 0.41576229433} H7 14 1
1 {} {0.479711036634 0.68140360523 0.328639836357} H8 15 1
1 {} {0.60536633513 0.67198841684 0.539790889034} H10 16 1
8 {} {0.36522390418 0.589138638534 0.542357917168} O 17 1
1 {} {0.320436768902 0.820429676261 0.487328111809} 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