iterations/neb0_image07_iter77.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.470100982321 0.220713333863 0.487405115357} O1 1 1
14 {} {0.331874792399 0.224162062653 0.575725908033} Si1 2 1
14 {} {0.599225393434 0.31284050484 0.44395885162} Si2 3 1
8 {} {0.551865931856 0.463519192673 0.403350269283} O2 4 1
8 {} {0.329144392015 0.354055274559 0.67693082058} O3 5 1
14 {} {0.299144937802 0.515792650465 0.678495520518} Si3 6 1
14 {} {0.503111515301 0.610749632347 0.454625953574} Si4 7 1
1 {} {0.326638139833 0.102520106623 0.659406359115} H1 8 1
1 {} {0.217436410705 0.232581636625 0.48192950009} H2 9 1
1 {} {0.661627598244 0.256093760754 0.322044505293} H3 10 1
1 {} {0.692337366744 0.324075704429 0.559598427257} H4 11 1
1 {} {0.152126011337 0.539555618016 0.670159512119} H5 12 1
1 {} {0.35500611677 0.570228797175 0.805864560885} H6 13 1
1 {} {0.351249422131 0.817486628267 0.422800839871} H7 14 1
1 {} {0.481662148154 0.683743160518 0.327789565866} H8 15 1
1 {} {0.604474934058 0.680721128847 0.538359496449} H10 16 1
8 {} {0.368924078297 0.587736736347 0.548672648235} O 17 1
1 {} {0.314135958779 0.775942035184 0.473940099494} 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