./iterations/neb0_image01_iter291.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.460388037893 0.259791518091 0.480988727506} O1 1 1
14 {} {0.327339513161 0.246768551861 0.575038861204} Si1 2 1
14 {} {0.592906760098 0.340015757492 0.427232367876} Si2 3 1
8 {} {0.550570854959 0.479653903353 0.352596840573} O2 4 1
8 {} {0.322733728982 0.365582551429 0.687718191683} O3 5 1
14 {} {0.254530064909 0.50995935827 0.729731766416} Si3 6 1
14 {} {0.540992499661 0.643888889072 0.358864333503} Si4 7 1
1 {} {0.334715370435 0.116069058328 0.645228570749} H1 8 1
1 {} {0.207340443867 0.255321562974 0.487525581494} H2 9 1
1 {} {0.659774677058 0.253043210792 0.327785968661} H3 10 1
1 {} {0.682044244987 0.371664751592 0.542211573938} H4 11 1
1 {} {0.107722947767 0.492617008722 0.741093317227} H5 12 1
1 {} {0.31812954509 0.551511114276 0.857502797351} H6 13 1
1 {} {0.410910448051 0.687302509383 0.301670653056} H7 14 1
1 {} {0.653551504391 0.704242705183 0.281790697607} H8 15 1
1 {} {0.550145094917 0.690579080449 0.50122562644} H10 16 1
8 {} {0.27728499024 0.626174961749 0.614860232765} O 17 1
1 {} {0.359005200218 0.678331082631 0.617991771929} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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