iterations/neb0_image03_iter296.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.459113032534 0.258917922951 0.47971437088} O1 1 1
14 {} {0.326076477436 0.240919971236 0.573066253459} Si1 2 1
14 {} {0.591821209698 0.343237102453 0.431880808424} Si2 3 1
8 {} {0.547460078354 0.491115757669 0.376465568499} O2 4 1
8 {} {0.307029731754 0.366329465327 0.677277259964} O3 5 1
14 {} {0.25143112708 0.513317642784 0.72791117478} Si3 6 1
14 {} {0.563438230841 0.65448513806 0.376575933842} Si4 7 1
1 {} {0.340735207998 0.115898472366 0.653007612758} H1 8 1
1 {} {0.208596527957 0.233588803158 0.480212808051} H2 9 1
1 {} {0.655554539181 0.266949024451 0.321747160389} H3 10 1
1 {} {0.684707017021 0.357923175958 0.547752290332} H4 11 1
1 {} {0.103976924083 0.499638629233 0.749895878416} H5 12 1
1 {} {0.322813080003 0.55050976555 0.853035395876} H6 13 1
1 {} {0.426485943373 0.715679819891 0.377911217432} H7 14 1
1 {} {0.633316003236 0.698350439505 0.252958372456} H8 15 1
1 {} {0.638058843736 0.698345136118 0.497898481593} H10 16 1
8 {} {0.287925112625 0.634696182399 0.623290881605} O 17 1
1 {} {0.261546947443 0.632615521771 0.530456131483} 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