./iterations/neb0_image07_iter65.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.47055448893 0.219008752286 0.484255658106} O1 1 1
14 {} {0.332410316167 0.224910606887 0.573729251657} Si1 2 1
14 {} {0.599215524296 0.313098693835 0.443182493878} Si2 3 1
8 {} {0.550261680942 0.463531793207 0.403344369252} O2 4 1
8 {} {0.331466247788 0.355311746444 0.674652390903} O3 5 1
14 {} {0.298305191518 0.51606569075 0.6800639979} Si3 6 1
14 {} {0.501205024096 0.610317779014 0.45556774781} Si4 7 1
1 {} {0.327096890291 0.103502509549 0.659333208098} H1 8 1
1 {} {0.216042981956 0.233653666766 0.480183151177} H2 9 1
1 {} {0.662473928993 0.25448572614 0.322975074231} H3 10 1
1 {} {0.69233583249 0.327258738469 0.558259581894} H4 11 1
1 {} {0.151835688858 0.538194840111 0.672358412418} H5 12 1
1 {} {0.354656604736 0.571259365811 0.805611080595} H6 13 1
1 {} {0.348335873094 0.814194186729 0.420115966397} H7 14 1
1 {} {0.482165898052 0.684341215934 0.329061478716} H8 15 1
1 {} {0.602350370326 0.679578796764 0.540188703957} H10 16 1
8 {} {0.367837005559 0.587924452122 0.550576337849} O 17 1
1 {} {0.321536595541 0.775879403875 0.477599056481} 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