./iterations/neb0_image01_iter225.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 {} {0.463409062339 0.25733848533 0.478255151044} O1 1 1
14 {} {0.327106944785 0.250541845176 0.569350887401} Si1 2 1
14 {} {0.596753527673 0.337378090918 0.426311420963} Si2 3 1
8 {} {0.55599928791 0.477232674024 0.350391937423} O2 4 1
8 {} {0.323056572581 0.373181756366 0.67795451178} O3 5 1
14 {} {0.254506269333 0.512707919556 0.733384693261} Si3 6 1
14 {} {0.539373140371 0.64068305265 0.360203790002} Si4 7 1
1 {} {0.329538804212 0.122095355876 0.644338387425} H1 8 1
1 {} {0.209748809167 0.259490679628 0.477896730621} H2 9 1
1 {} {0.66522135034 0.25038256887 0.327488187182} H3 10 1
1 {} {0.683653822713 0.369320419697 0.543206820323} H4 11 1
1 {} {0.107973197392 0.494077247049 0.750019784032} H5 12 1
1 {} {0.323519227816 0.542893741688 0.861797580161} H6 13 1
1 {} {0.404184941062 0.679074911686 0.311804222071} H7 14 1
1 {} {0.644494986686 0.707196709319 0.277828398005} H8 15 1
1 {} {0.554172670635 0.685442863593 0.502917189321} H10 16 1
8 {} {0.269671395907 0.637300658404 0.626062007358} O 17 1
1 {} {0.357701897641 0.676178809777 0.611846179658} 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