./iterations/neb0_image09_iter110.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.471964148907 0.214380435896 0.494323930912} O1 1 1
14 {} {0.335423024545 0.216150482376 0.585654797695} Si1 2 1
14 {} {0.603331563721 0.299451010786 0.444740877795} Si2 3 1
8 {} {0.561448834847 0.452144517255 0.401190946583} O2 4 1
8 {} {0.327394935571 0.353589723022 0.676109202357} O3 5 1
14 {} {0.2969680034 0.515056686369 0.670265521606} Si3 6 1
14 {} {0.50740199372 0.598912749634 0.451139240138} Si4 7 1
1 {} {0.339099502506 0.101222914876 0.679603197914} H1 8 1
1 {} {0.218090132142 0.210342596356 0.49413649117} H2 9 1
1 {} {0.658954925848 0.231926100593 0.324989200723} H3 10 1
1 {} {0.702032772498 0.306802114824 0.556155353311} H4 11 1
1 {} {0.150652807641 0.538244656775 0.656901549644} H5 12 1
1 {} {0.351418527661 0.575009432446 0.795018653641} H6 13 1
1 {} {0.322968092184 0.8817616824 0.414833599423} H7 14 1
1 {} {0.476419980004 0.678345291907 0.329879187706} H8 15 1
1 {} {0.611828131493 0.664011659648 0.53500894625} H10 16 1
8 {} {0.369843347618 0.582893689219 0.53955217553} O 17 1
1 {} {0.304845439254 0.852272230055 0.48155509393} 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
14 6 0 0
16 5 0 0
15 6 0 0
16 6 0 0
4 1 0 0
3 2 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 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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