./iterations/neb0_image07_iter228.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 {} {0.475263522327 0.225976333413 0.49683699033} O1 1 1
14 {} {0.335254646664 0.214842235281 0.581872066909} Si1 2 1
14 {} {0.615963366749 0.298641058038 0.453504324169} Si2 3 1
8 {} {0.596393526615 0.459604662865 0.426211294043} O2 4 1
8 {} {0.30962310627 0.348730789043 0.67478886162} O3 5 1
14 {} {0.291055828761 0.510741628172 0.648367703642} Si3 6 1
14 {} {0.496260129249 0.589501157781 0.432349991576} Si4 7 1
1 {} {0.343371612891 0.0991318708746 0.673925748679} H1 8 1
1 {} {0.223044176144 0.200778092146 0.485447214151} H2 9 1
1 {} {0.659351615834 0.232901232649 0.327571326079} H3 10 1
1 {} {0.716894472498 0.286545059655 0.562750274548} H4 11 1
1 {} {0.147350264586 0.550055439492 0.647018381984} H5 12 1
1 {} {0.367028219776 0.579443375367 0.756695524767} H6 13 1
1 {} {0.341020318657 0.926593164 0.505405661823} H7 14 1
1 {} {0.470136268329 0.633483547571 0.293094704355} H8 15 1
1 {} {0.558390401503 0.693734673516 0.518026058481} H10 16 1
8 {} {0.350955491469 0.551078101265 0.500194490698} O 17 1
1 {} {0.312728921308 0.870735398778 0.54699714548} 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