iterations/neb0_image04_iter75.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.467543344517 0.23043666941 0.484763100493} O1 1 1
14 {} {0.330673415223 0.231480559211 0.575105857062} Si1 2 1
14 {} {0.586067013279 0.335528766866 0.438034549033} Si2 3 1
8 {} {0.519621945037 0.481135846559 0.403588463027} O2 4 1
8 {} {0.325008109517 0.361807512468 0.675539303812} O3 5 1
14 {} {0.279261781222 0.517287721546 0.700057233844} Si3 6 1
14 {} {0.522145438491 0.646380611649 0.40450920007} Si4 7 1
1 {} {0.329561650879 0.111994230639 0.66402197288} H1 8 1
1 {} {0.213539436647 0.234218580113 0.483160237017} H2 9 1
1 {} {0.651033579175 0.278521532635 0.317286237769} H3 10 1
1 {} {0.681824690304 0.350253985074 0.550200229881} H4 11 1
1 {} {0.130629975545 0.5288732655 0.700019798645} H5 12 1
1 {} {0.338172712029 0.561954277547 0.829176265913} H6 13 1
1 {} {0.397080152787 0.728711909012 0.392569690585} H7 14 1
1 {} {0.587553540585 0.682747014185 0.274916127574} H8 15 1
1 {} {0.605065580779 0.694751647817 0.519144669819} H10 16 1
8 {} {0.341234742262 0.607228727772 0.576857358879} O 17 1
1 {} {0.30406901814 0.689205101718 0.542107689062} 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