./iterations/neb0_image01_iter226.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.46299027394 0.258316445343 0.478643867358} O1 1 1
14 {} {0.327059914026 0.250303906783 0.570098169398} Si1 2 1
14 {} {0.596389439764 0.337753443044 0.426106223278} Si2 3 1
8 {} {0.555911688668 0.477374046113 0.34949935395} O2 4 1
8 {} {0.322323915028 0.372523751962 0.679733566579} O3 5 1
14 {} {0.253923086677 0.512397310097 0.733637196828} Si3 6 1
14 {} {0.539868795164 0.64092221787 0.359359896585} Si4 7 1
1 {} {0.330404455967 0.121515638039 0.644482752307} H1 8 1
1 {} {0.209520598871 0.259426882561 0.478935535298} H2 9 1
1 {} {0.66472405994 0.250412853824 0.327538038905} H3 10 1
1 {} {0.683542125681 0.370136317472 0.542669987955} H4 11 1
1 {} {0.107242060726 0.494008166412 0.749911874336} H5 12 1
1 {} {0.322444839056 0.543693830081 0.862038748652} H6 13 1
1 {} {0.405489231689 0.679615505832 0.30956320087} H7 14 1
1 {} {0.646385337402 0.707227543944 0.278295630793} H8 15 1
1 {} {0.553313380398 0.685406549083 0.502434769373} H10 16 1
8 {} {0.270061835916 0.636339932185 0.62561179426} O 17 1
1 {} {0.358490860941 0.675143428346 0.612497265428} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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