./iterations/neb0_image09_iter24.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 {} {0.471665954469 0.214921853862 0.494992421782} O1 1 1
14 {} {0.336189946694 0.217618398098 0.587620040349} Si1 2 1
14 {} {0.603229715033 0.298976800342 0.444376366509} Si2 3 1
8 {} {0.558972487393 0.450960741766 0.40072411918} O2 4 1
8 {} {0.328094130498 0.356382359592 0.674479181835} O3 5 1
14 {} {0.29462468097 0.516868029646 0.670358253165} Si3 6 1
14 {} {0.506883230619 0.599195556196 0.449394204127} Si4 7 1
1 {} {0.342476205253 0.104717554077 0.684530286686} H1 8 1
1 {} {0.217870136638 0.207365751756 0.49696560383} H2 9 1
1 {} {0.658542379595 0.227870913656 0.326107652114} H3 10 1
1 {} {0.703054448297 0.306972925966 0.554822602182} H4 11 1
1 {} {0.147930475566 0.533576590592 0.661964378532} H5 12 1
1 {} {0.345902959099 0.572585631887 0.797373222337} H6 13 1
1 {} {0.322166320538 0.88178180615 0.414372805129} H7 14 1
1 {} {0.48827990732 0.67451049335 0.322576367221} H8 15 1
1 {} {0.608982786786 0.665280687647 0.534138308422} H10 16 1
8 {} {0.36858331954 0.586607923652 0.536817965501} O 17 1
1 {} {0.306637074466 0.856323931773 0.479444216691} 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