./iterations/neb0_image08_iter140.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.470851051866 0.223791292549 0.491915971619} O1 1 1
14 {} {0.330677734173 0.220594434245 0.576956208009} Si1 2 1
14 {} {0.607633923494 0.30408262534 0.447171834757} Si2 3 1
8 {} {0.576853467167 0.459895128814 0.405734051397} O2 4 1
8 {} {0.322338050277 0.349417353041 0.679677314447} O3 5 1
14 {} {0.301547550558 0.512334961185 0.674405208061} Si3 6 1
14 {} {0.509783514998 0.602570164626 0.453030430473} Si4 7 1
1 {} {0.327876231407 0.0961827975356 0.657530757359} H1 8 1
1 {} {0.216587958427 0.225263832921 0.481170498142} H2 9 1
1 {} {0.662208593926 0.233221902639 0.328990023316} H3 10 1
1 {} {0.703521250771 0.304494113371 0.560801963565} H4 11 1
1 {} {0.157049966021 0.544797129117 0.661244203187} H5 12 1
1 {} {0.360908309428 0.568293538418 0.798568596228} H6 13 1
1 {} {0.328334388773 0.874897500182 0.441773959523} H7 14 1
1 {} {0.467330909803 0.675414313505 0.33148209227} H8 15 1
1 {} {0.608092732943 0.680318986839 0.533845740692} H10 16 1
8 {} {0.376065161573 0.577263542542 0.54326272687} O 17 1
1 {} {0.282425407407 0.819684329344 0.463496296668} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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