./iterations/neb0_image07_iter169.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 {} {0.471083320312 0.24126346526 0.492792989475} O1 1 1
14 {} {0.332435269519 0.222406459436 0.578716095065} Si1 2 1
14 {} {0.616195236127 0.30431907356 0.451677555243} Si2 3 1
8 {} {0.598845463467 0.465039055429 0.418338774403} O2 4 1
8 {} {0.304502442105 0.348208698376 0.682792881259} O3 5 1
14 {} {0.29092643942 0.510254358869 0.655832438714} Si3 6 1
14 {} {0.49534148891 0.592301367422 0.438065284891} Si4 7 1
1 {} {0.343858810049 0.100283729567 0.662183493379} H1 8 1
1 {} {0.222188765923 0.213844816565 0.479034586859} H2 9 1
1 {} {0.664507032985 0.236892470516 0.328321001693} H3 10 1
1 {} {0.713002667956 0.282081552293 0.564059600372} H4 11 1
1 {} {0.14765752529 0.548586412219 0.657792830411} H5 12 1
1 {} {0.368840491112 0.584697161671 0.75781283573} H6 13 1
1 {} {0.348045130174 0.897973281571 0.49423796631} H7 14 1
1 {} {0.458339742471 0.65054344302 0.306440543086} H8 15 1
1 {} {0.563224393261 0.691421287779 0.526682578348} H10 16 1
8 {} {0.353843674748 0.543952869923 0.507620830897} O 17 1
1 {} {0.317248088476 0.838448312393 0.528655546037} 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