./iterations/neb0_image02_iter176.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 {} {0.463936311739 0.253468143692 0.490462964048} O1 1 1
14 {} {0.328386959276 0.239535608484 0.58188226244} Si1 2 1
14 {} {0.586269080409 0.344155130251 0.429890151883} Si2 3 1
8 {} {0.528949911252 0.485838123223 0.36993122863} O2 4 1
8 {} {0.319181546345 0.361455283487 0.691646744878} O3 5 1
14 {} {0.251129396244 0.507759566727 0.726087545549} Si3 6 1
14 {} {0.55105595165 0.64887482054 0.362088913814} Si4 7 1
1 {} {0.337621756156 0.110808430631 0.656356440759} H1 8 1
1 {} {0.209487516258 0.241816392388 0.491421109286} H2 9 1
1 {} {0.64711991389 0.266369393156 0.31886864023} H3 10 1
1 {} {0.684467569477 0.372945343769 0.538562908086} H4 11 1
1 {} {0.104279194034 0.491347927076 0.741768895586} H5 12 1
1 {} {0.31819025143 0.556914311945 0.849863544586} H6 13 1
1 {} {0.423357164179 0.714042849384 0.319310226858} H7 14 1
1 {} {0.659038278081 0.681264292963 0.26492108195} H8 15 1
1 {} {0.58978116978 0.701751032006 0.496660215964} H10 16 1
8 {} {0.267391206166 0.615343452848 0.601977645283} O 17 1
1 {} {0.340442919097 0.678827820825 0.599357635532} 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