./iterations/neb0_image07_iter109.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.469770622585 0.223899322464 0.491608511253} O1 1 1
14 {} {0.33091883047 0.222101969905 0.578234271966} Si1 2 1
14 {} {0.601085907182 0.311892421706 0.446457097054} Si2 3 1
8 {} {0.562689376644 0.465555289401 0.405901400015} O2 4 1
8 {} {0.324382288093 0.352454729416 0.67803591916} O3 5 1
14 {} {0.298074180127 0.514691615721 0.675066173948} Si3 6 1
14 {} {0.503753828297 0.61034485421 0.451150410736} Si4 7 1
1 {} {0.327584159477 0.100075162826 0.662292379788} H1 8 1
1 {} {0.215736147981 0.228412347496 0.485103820935} H2 9 1
1 {} {0.657848412543 0.250843069649 0.324211737268} H3 10 1
1 {} {0.697225964082 0.318241664598 0.559653618971} H4 11 1
1 {} {0.152128468824 0.541911589581 0.665618800759} H5 12 1
1 {} {0.356121177436 0.571612212388 0.799473085265} H6 13 1
1 {} {0.349738295915 0.827809072634 0.4313686987} H7 14 1
1 {} {0.482018981746 0.68017630798 0.322730190446} H8 15 1
1 {} {0.601000058971 0.68693697621 0.533147236087} H10 16 1
8 {} {0.370257562806 0.581058129127 0.542778838018} O 17 1
1 {} {0.309751865968 0.784501199673 0.478225752321} 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