./iterations/neb0_image01_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_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 {} {0.463125578478 0.258018389042 0.478530409827} O1 1 1
14 {} {0.327064155319 0.250345442221 0.56988069002} Si1 2 1
14 {} {0.596484413097 0.337646007021 0.426167735849} Si2 3 1
8 {} {0.555913596977 0.477340491919 0.349769274489} O2 4 1
8 {} {0.322529530169 0.372724085635 0.679230752952} O3 5 1
14 {} {0.254095110686 0.512473972976 0.733539518795} Si3 6 1
14 {} {0.539746312354 0.640860461007 0.359621182684} Si4 7 1
1 {} {0.330153244102 0.121664720948 0.644453859779} H1 8 1
1 {} {0.209577329897 0.259439028034 0.478638456474} H2 9 1
1 {} {0.664867843312 0.250422075595 0.32749372517} H3 10 1
1 {} {0.683572375142 0.36990755527 0.542841385167} H4 11 1
1 {} {0.107453970654 0.494006075458 0.749920416271} H5 12 1
1 {} {0.322775658443 0.543510373171 0.861941629861} H6 13 1
1 {} {0.40508212737 0.679436589916 0.310238914279} H7 14 1
1 {} {0.645842095518 0.707203607108 0.27817468251} H8 15 1
1 {} {0.553582965357 0.685441532093 0.502574562633} H10 16 1
8 {} {0.269951359251 0.636640592689 0.625702701967} O 17 1
1 {} {0.358268236641 0.675436776016 0.612337976247} 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