./iterations/neb0_image08_iter87.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.472015944418 0.218450069206 0.48931225514} O1 1 1
14 {} {0.333289924124 0.221177039944 0.578109201858} Si1 2 1
14 {} {0.602553002696 0.307440696789 0.444393438288} Si2 3 1
8 {} {0.558718738215 0.45956208446 0.400356542152} O2 4 1
8 {} {0.32943130447 0.352600915404 0.677839360891} O3 5 1
14 {} {0.298739722391 0.514695182443 0.67525797235} Si3 6 1
14 {} {0.504574819061 0.605077682271 0.453658420638} Si4 7 1
1 {} {0.329836731775 0.0995799409282 0.663611967084} H1 8 1
1 {} {0.217726738319 0.226357794436 0.483583211609} H2 9 1
1 {} {0.663442279571 0.244644552996 0.324518086477} H3 10 1
1 {} {0.696914354323 0.314314797511 0.559894859223} H4 11 1
1 {} {0.152249728271 0.537995969568 0.665388272729} H5 12 1
1 {} {0.356428050672 0.571293216018 0.799966072584} H6 13 1
1 {} {0.333136826696 0.843753861725 0.416681792058} H7 14 1
1 {} {0.472232862865 0.683946512977 0.332654125936} H8 15 1
1 {} {0.608365752721 0.670742437381 0.538366842975} H10 16 1
8 {} {0.36793311096 0.58503095702 0.543731286538} O 17 1
1 {} {0.312496235036 0.815854271174 0.483734249901} 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