./iterations/neb0_image04_iter249.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 {} {0.465707208268 0.261404187924 0.491276899854} O1 1 1
14 {} {0.325167990127 0.229365638948 0.568436706332} Si1 2 1
14 {} {0.597308675384 0.348207263411 0.447260430246} Si2 3 1
8 {} {0.5549368934 0.50511831534 0.426587143018} O2 4 1
8 {} {0.285539463291 0.347689155082 0.675145495558} O3 5 1
14 {} {0.243172418427 0.503639588189 0.70047005155} Si3 6 1
14 {} {0.579638343744 0.665648772145 0.400594922224} Si4 7 1
1 {} {0.343474608971 0.105295186935 0.646906349896} H1 8 1
1 {} {0.2175400995 0.214568790429 0.466529430931} H2 9 1
1 {} {0.647992982011 0.290380705548 0.318516701384} H3 10 1
1 {} {0.70104123144 0.340814795768 0.55563950228} H4 11 1
1 {} {0.106377293496 0.510057573929 0.760308772203} H5 12 1
1 {} {0.343560840847 0.561251918027 0.794131047463} H6 13 1
1 {} {0.454105268579 0.737860640977 0.435535043265} H7 14 1
1 {} {0.614024146071 0.689877526435 0.257274048751} H8 15 1
1 {} {0.692177212228 0.716057376864 0.484668731141} H10 16 1
8 {} {0.242538629169 0.580253742842 0.553955020144} O 17 1
1 {} {0.195782656051 0.66502664606 0.547821944402} 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