./iterations/neb0_image09_iter275.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 {} {0.472737508466 0.211025394879 0.494895964056} O1 1 1
14 {} {0.333290708981 0.214451996584 0.582054833217} Si1 2 1
14 {} {0.606807856897 0.293303094872 0.447203916692} Si2 3 1
8 {} {0.571322900114 0.449634809342 0.410844714495} O2 4 1
8 {} {0.322643903093 0.351656425891 0.672091031828} O3 5 1
14 {} {0.300375485818 0.514548562917 0.670560707179} Si3 6 1
14 {} {0.51228572476 0.596805922486 0.452605846079} Si4 7 1
1 {} {0.334177688264 0.0994151279436 0.676003543588} H1 8 1
1 {} {0.218869115209 0.208768775251 0.486606738618} H2 9 1
1 {} {0.658257130662 0.22899365519 0.323925656727} H3 10 1
1 {} {0.707202979479 0.290387005463 0.557237689995} H4 11 1
1 {} {0.155524594747 0.545793780052 0.660204669608} H5 12 1
1 {} {0.360670233347 0.567844377364 0.795448342781} H6 13 1
1 {} {0.312936890567 0.919168009617 0.437740368878} H7 14 1
1 {} {0.478364821008 0.669957815371 0.328235217908} H8 15 1
1 {} {0.615042819778 0.668908254712 0.533100674487} H10 16 1
8 {} {0.373945959193 0.582297816816 0.539752212771} O 17 1
1 {} {0.275629883848 0.859557069211 0.462545533697} 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