./iterations/neb0_image08_iter165.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 {} {0.470872444566 0.228476619555 0.492783989647} O1 1 1
14 {} {0.330248668959 0.220556581615 0.576892089255} Si1 2 1
14 {} {0.61169279061 0.300722713101 0.449889687568} Si2 3 1
8 {} {0.586662455755 0.458814390837 0.41036128646} O2 4 1
8 {} {0.315706434905 0.348043020208 0.679932761797} O3 5 1
14 {} {0.300878248084 0.512337556349 0.673096414416} Si3 6 1
14 {} {0.511945888271 0.599702622606 0.450007649312} Si4 7 1
1 {} {0.32991170623 0.0964582819754 0.658569830294} H1 8 1
1 {} {0.21822793419 0.22259646048 0.47864324417} H2 9 1
1 {} {0.662814397666 0.230236542331 0.329458259832} H3 10 1
1 {} {0.707985680948 0.291837125767 0.563891125435} H4 11 1
1 {} {0.157174683499 0.548609365192 0.660364722954} H5 12 1
1 {} {0.363764682217 0.56831205069 0.796069351187} H6 13 1
1 {} {0.31831030924 0.892155268357 0.46274505245} H7 14 1
1 {} {0.466900067951 0.668279109747 0.325939202171} H8 15 1
1 {} {0.607020028653 0.683249461129 0.529064551837} H10 16 1
8 {} {0.37647530957 0.569896092602 0.539622468339} O 17 1
1 {} {0.273494519094 0.832234612696 0.453726112843} 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