./iterations/neb0_image03_iter7.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.468606362281 0.235679469179 0.478653805874} O1 1 1
14 {} {0.329950050685 0.238482658155 0.563581295286} Si1 2 1
14 {} {0.602698018851 0.318599105248 0.43625398702} Si2 3 1
8 {} {0.560480527141 0.468447015509 0.374886291925} O2 4 1
8 {} {0.332050723221 0.371734310446 0.66289597113} O3 5 1
14 {} {0.272982828154 0.519454719745 0.714075309469} Si3 6 1
14 {} {0.512963328693 0.632538010172 0.389866750721} Si4 7 1
1 {} {0.324359124754 0.120480578333 0.652019147686} H1 8 1
1 {} {0.214783482053 0.24770935211 0.471640271613} H2 9 1
1 {} {0.670673762183 0.242062090321 0.328490625354} H3 10 1
1 {} {0.690676066443 0.33750776823 0.555022546162} H4 11 1
1 {} {0.124740536478 0.49928670655 0.72443885443} H5 12 1
1 {} {0.34353489404 0.542674402232 0.842310984792} H6 13 1
1 {} {0.374416797303 0.737654740479 0.357576606169} H7 14 1
1 {} {0.58458952067 0.698537377292 0.277883771436} H8 15 1
1 {} {0.574186248552 0.682676099607 0.517874900497} H10 16 1
8 {} {0.30503792701 0.645735517224 0.599294693766} O 17 1
1 {} {0.323355938905 0.733258045037 0.58429218177} 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