./iterations/neb0_image09_iter31.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 {} {0.471452040213 0.214255871755 0.494826149389} O1 1 1
14 {} {0.336161620872 0.216840132815 0.586833159243} Si1 2 1
14 {} {0.602787095778 0.299158437267 0.44450429024} Si2 3 1
8 {} {0.558351517417 0.450810339571 0.401633443128} O2 4 1
8 {} {0.32870008886 0.35666592231 0.674388303669} O3 5 1
14 {} {0.296384277202 0.516963765363 0.668252734136} Si3 6 1
14 {} {0.507311322192 0.5992409389 0.45022155064} Si4 7 1
1 {} {0.342049873949 0.104638510431 0.683618752858} H1 8 1
1 {} {0.218043945174 0.20797872885 0.496777991955} H2 9 1
1 {} {0.658513479726 0.22912681704 0.326127654613} H3 10 1
1 {} {0.702766576156 0.307646932276 0.554726910379} H4 11 1
1 {} {0.148999844928 0.535169333631 0.660719689255} H5 12 1
1 {} {0.346687699671 0.573753175278 0.796126405565} H6 13 1
1 {} {0.323117848996 0.880543301667 0.412262817707} H7 14 1
1 {} {0.484515164033 0.674732559787 0.324304738732} H8 15 1
1 {} {0.610057357833 0.665645590957 0.535676814495} H10 16 1
8 {} {0.367507656161 0.585174241355 0.53800646584} O 17 1
1 {} {0.306678754146 0.854173344406 0.482050123111} 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