./iterations/neb0_image09_iter266.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 {} {0.472670326912 0.213125218333 0.494669152573} O1 1 1
14 {} {0.333189847301 0.214766085626 0.581929825389} Si1 2 1
14 {} {0.606727918698 0.294253845416 0.446496951455} Si2 3 1
8 {} {0.570586158682 0.450363888426 0.408448469647} O2 4 1
8 {} {0.32280672017 0.35063485864 0.67341519188} O3 5 1
14 {} {0.300656911472 0.514013595806 0.671373104278} Si3 6 1
14 {} {0.512184772583 0.596924003862 0.452489340643} Si4 7 1
1 {} {0.334188882662 0.0981932371533 0.67393591603} H1 8 1
1 {} {0.21903059392 0.209723972748 0.486319242516} H2 9 1
1 {} {0.658717273534 0.22839957099 0.323901725092} H3 10 1
1 {} {0.706741048174 0.292513268969 0.557106151256} H4 11 1
1 {} {0.155650323219 0.544933457919 0.659801393417} H5 12 1
1 {} {0.359731113055 0.567117680732 0.797206093887} H6 13 1
1 {} {0.31381020024 0.917821416327 0.435802526735} H7 14 1
1 {} {0.476761345409 0.671565478252 0.329134486475} H8 15 1
1 {} {0.615087136059 0.667881454955 0.533492906862} H10 16 1
8 {} {0.374454792717 0.580785653075 0.541243717566} O 17 1
1 {} {0.277090811684 0.859501228339 0.464291463431} 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