./iterations/neb0_image04_iter265.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.468047692835 0.262405909899 0.491582575761} O1 1 1
14 {} {0.326513513098 0.230205886633 0.566848354055} Si1 2 1
14 {} {0.599941584492 0.348233604859 0.448041139506} Si2 3 1
8 {} {0.561131052778 0.504972852067 0.428525151271} O2 4 1
8 {} {0.281670439771 0.349390752538 0.670978055246} O3 5 1
14 {} {0.238120125746 0.504125645365 0.699615275643} Si3 6 1
14 {} {0.584142645004 0.664887542093 0.401447265198} Si4 7 1
1 {} {0.344069396184 0.106445231913 0.64848052936} H1 8 1
1 {} {0.219302719696 0.214240334181 0.464673693281} H2 9 1
1 {} {0.648382222562 0.292696726395 0.319990317507} H3 10 1
1 {} {0.70088637342 0.336487547163 0.555533301216} H4 11 1
1 {} {0.106506467147 0.504790921419 0.770161435994} H5 12 1
1 {} {0.342759506392 0.565501193801 0.786346438773} H6 13 1
1 {} {0.461709265602 0.740659611753 0.441029667255} H7 14 1
1 {} {0.611902535342 0.687744006951 0.256927057117} H8 15 1
1 {} {0.699349105892 0.714959179638 0.481708374371} H10 16 1
8 {} {0.229270853138 0.578848306366 0.551981503268} O 17 1
1 {} {0.186380443404 0.66592253348 0.547188154145} 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