./iterations/neb0_image03_iter189.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.459360461608 0.263038156244 0.493420055949} O1 1 1
14 {} {0.324641033584 0.236655789209 0.582161631665} Si1 2 1
14 {} {0.583157804453 0.349904369869 0.431485214203} Si2 3 1
8 {} {0.530113396152 0.49362236367 0.371741732141} O2 4 1
8 {} {0.307053161905 0.350193991486 0.699830350388} O3 5 1
14 {} {0.261076480422 0.503459488223 0.733156138335} Si3 6 1
14 {} {0.559588130083 0.655879801236 0.363247243617} Si4 7 1
1 {} {0.338903161385 0.104894142472 0.648603813077} H1 8 1
1 {} {0.20605109981 0.239493002461 0.492230982503} H2 9 1
1 {} {0.639847290076 0.270339399804 0.319159590809} H3 10 1
1 {} {0.683575588935 0.375427198359 0.539338023481} H4 11 1
1 {} {0.112676230533 0.514495968624 0.730377139884} H5 12 1
1 {} {0.31804524594 0.536312902036 0.86535258945} H6 13 1
1 {} {0.433287439781 0.725924504002 0.325512003234} H7 14 1
1 {} {0.662015061958 0.681460458799 0.256690745166} H8 15 1
1 {} {0.608901069652 0.707868072766 0.494381088867} H10 16 1
8 {} {0.32330638424 0.611357410297 0.621600360083} O 17 1
1 {} {0.258487166973 0.652191036405 0.562769086363} 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