./iterations/neb0_image05_iter3.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 {} {0.470271466473 0.230420683418 0.48365500242} O1 1 1
14 {} {0.331413388173 0.234528796593 0.573187475958} Si1 2 1
14 {} {0.60340406108 0.310289493487 0.43943819628} Si2 3 1
8 {} {0.563467934424 0.463090194962 0.381062128317} O2 4 1
8 {} {0.330909152363 0.361516856729 0.664570207363} O3 5 1
14 {} {0.275451043061 0.514901849905 0.706845890446} Si3 6 1
14 {} {0.518252228267 0.614687188174 0.410470746121} Si4 7 1
1 {} {0.330116558622 0.116562708026 0.662187626936} H1 8 1
1 {} {0.216110874217 0.235220960851 0.479939365237} H2 9 1
1 {} {0.666798004027 0.237332506514 0.327966928316} H3 10 1
1 {} {0.6944119605 0.327798909205 0.554787002149} H4 11 1
1 {} {0.131294850919 0.508845045967 0.705794109406} H5 12 1
1 {} {0.343764087093 0.551148954359 0.828386044522} H6 13 1
1 {} {0.353284739134 0.792580803535 0.37217402253} H7 14 1
1 {} {0.554314312873 0.691991033165 0.290545998211} H8 15 1
1 {} {0.58392590999 0.677602507035 0.520144057412} H10 16 1
8 {} {0.32101069236 0.623404919079 0.582880328378} O 17 1
1 {} {0.321884878596 0.780594548824 0.547022869655} 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