./iterations/neb0_image08_iter205.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 {} {0.471412365435 0.226668070771 0.493223811241} O1 1 1
14 {} {0.330171669583 0.219444560397 0.576581674196} Si1 2 1
14 {} {0.613207052725 0.297908466895 0.450617206213} Si2 3 1
8 {} {0.592208035785 0.457000103269 0.415144823598} O2 4 1
8 {} {0.313155507651 0.348597740128 0.677666978362} O3 5 1
14 {} {0.300088220865 0.512629194145 0.671141485102} Si3 6 1
14 {} {0.512551400313 0.596873638389 0.449044130951} Si4 7 1
1 {} {0.331597648774 0.0967723622048 0.660598188984} H1 8 1
1 {} {0.21849121676 0.218825857197 0.477592949233} H2 9 1
1 {} {0.663569902837 0.230437258425 0.328108685033} H3 10 1
1 {} {0.709298576759 0.287676791997 0.564066601368} H4 11 1
1 {} {0.156948459398 0.551955651116 0.660521977332} H5 12 1
1 {} {0.364935919256 0.568465178062 0.792958953654} H6 13 1
1 {} {0.311847076049 0.903577878431 0.473894010431} H7 14 1
1 {} {0.471232631643 0.657111335158 0.319241942675} H8 15 1
1 {} {0.602633032739 0.686406544247 0.528137288689} H10 16 1
8 {} {0.375935625352 0.568789898901 0.536271741543} O 17 1
1 {} {0.270801921017 0.843377329506 0.456245296746} 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