./iterations/neb0_image06_iter179.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.475878871006 0.223655999121 0.486414146578} O1 1 1
14 {} {0.332217980224 0.220255128086 0.565665206902} Si1 2 1
14 {} {0.608126024642 0.31669026216 0.453924851983} Si2 3 1
8 {} {0.569820312288 0.474241981191 0.452313788023} O2 4 1
8 {} {0.305116865817 0.354562264249 0.657151490623} O3 5 1
14 {} {0.285957262406 0.517371273879 0.656987451554} Si3 6 1
14 {} {0.484100355816 0.612514948364 0.446038907809} Si4 7 1
1 {} {0.338560134444 0.106439403177 0.660904830292} H1 8 1
1 {} {0.223623000865 0.204529870882 0.463627235177} H2 9 1
1 {} {0.661227897332 0.283357656299 0.32050441968} H3 10 1
1 {} {0.708146097852 0.294183764529 0.560357321207} H4 11 1
1 {} {0.144505190425 0.544924833078 0.695426444777} H5 12 1
1 {} {0.37624760298 0.582306155711 0.755946883879} H6 13 1
1 {} {0.392145832738 0.816540573225 0.521313658778} H7 14 1
1 {} {0.46980956452 0.65726153875 0.305118561849} H8 15 1
1 {} {0.580401134786 0.704321097273 0.515099359787} H10 16 1
8 {} {0.328968781063 0.576188104416 0.507862301541} O 17 1
1 {} {0.325233024173 0.783172973391 0.506401201309} 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