./iterations/neb0_image09_iter259.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 {} {0.472379434307 0.214007764191 0.494552352975} O1 1 1
14 {} {0.333338234016 0.214731323759 0.581693438464} Si1 2 1
14 {} {0.606628740887 0.295174879141 0.445937078916} Si2 3 1
8 {} {0.570305008121 0.4504649605 0.406801619327} O2 4 1
8 {} {0.322872620882 0.350427834016 0.674475000303} O3 5 1
14 {} {0.300503883471 0.513174866241 0.672092211907} Si3 6 1
14 {} {0.511915971551 0.59714082965 0.452455316506} Si4 7 1
1 {} {0.334236590283 0.0976602484543 0.672777373733} H1 8 1
1 {} {0.219028844893 0.210303528478 0.486343498485} H2 9 1
1 {} {0.658910964029 0.228494396635 0.324008868013} H3 10 1
1 {} {0.706267015401 0.294438367951 0.556891816839} H4 11 1
1 {} {0.155677468135 0.544356809807 0.659436048315} H5 12 1
1 {} {0.359100614291 0.567282837342 0.797723774032} H6 13 1
1 {} {0.31494252514 0.916294952616 0.434129315216} H7 14 1
1 {} {0.475487514055 0.672400344793 0.329972745105} H8 15 1
1 {} {0.615074724472 0.66738095044 0.534025293257} H10 16 1
8 {} {0.374921221693 0.580184925116 0.541797594014} O 17 1
1 {} {0.27849477671 0.858598109786 0.465944306078} 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