./iterations/neb0_image02_iter274.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.455869727059 0.268108259236 0.487345512874} O1 1 1
14 {} {0.325700906898 0.24066966416 0.583376519704} Si1 2 1
14 {} {0.583785338917 0.350088860316 0.427772397974} Si2 3 1
8 {} {0.535216910174 0.494207093179 0.365407102964} O2 4 1
8 {} {0.311267106311 0.357660665008 0.698580669361} O3 5 1
14 {} {0.240900442486 0.50238992848 0.733690500097} Si3 6 1
14 {} {0.564975549423 0.655765187293 0.356027485255} Si4 7 1
1 {} {0.347126526989 0.110478425473 0.651876366181} H1 8 1
1 {} {0.203833019085 0.237925370096 0.496814875512} H2 9 1
1 {} {0.642101901854 0.268020639648 0.318282708951} H3 10 1
1 {} {0.682067817369 0.37476349234 0.537728697532} H4 11 1
1 {} {0.094270036489 0.483978440863 0.753220988896} H5 12 1
1 {} {0.310857522503 0.553172888074 0.855572891924} H6 13 1
1 {} {0.439090287544 0.721406287909 0.313133764996} H7 14 1
1 {} {0.674334500701 0.684018490579 0.258581099047} H8 15 1
1 {} {0.603759015047 0.708210418579 0.491299268834} H10 16 1
8 {} {0.253989796763 0.611679417107 0.60885990149} O 17 1
1 {} {0.340940009221 0.649974680339 0.593486995389} 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