iterations/neb0_image06_iter67.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.468993787623 0.220340580759 0.484621328984} O1 1 1
14 {} {0.330606471365 0.226806366141 0.575667690075} Si1 2 1
14 {} {0.593720107131 0.319085151149 0.443400221945} Si2 3 1
8 {} {0.540085072763 0.468208944082 0.406980637314} O2 4 1
8 {} {0.329010467849 0.357294005319 0.675849897978} O3 5 1
14 {} {0.295206742714 0.517655804283 0.682025643776} Si3 6 1
14 {} {0.498468204548 0.619569909106 0.451476127645} Si4 7 1
1 {} {0.328670130322 0.10751082855 0.663451149434} H1 8 1
1 {} {0.214870672745 0.231912146231 0.481435430587} H2 9 1
1 {} {0.656963931835 0.266230043592 0.319343660803} H3 10 1
1 {} {0.690220366928 0.335123124261 0.556931613751} H4 11 1
1 {} {0.148166038911 0.539165862145 0.676273176075} H5 12 1
1 {} {0.349188087466 0.570605690261 0.809720163335} H6 13 1
1 {} {0.369400860657 0.78406349583 0.425416465831} H7 14 1
1 {} {0.503822692543 0.682291507969 0.314173274626} H8 15 1
1 {} {0.599224539452 0.691569961043 0.534365348001} H10 16 1
8 {} {0.365336024963 0.590558469073 0.552646434628} O 17 1
1 {} {0.328131909383 0.744526059902 0.477279718997} 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