./iterations/neb0_image05_iter49.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.47009456465 0.22485866878 0.482025236124} O1 1 1
14 {} {0.33235691651 0.229642286594 0.569816881201} Si1 2 1
14 {} {0.590491163402 0.328852024854 0.441423710153} Si2 3 1
8 {} {0.526920422103 0.476223463246 0.409350921913} O2 4 1
8 {} {0.334361030744 0.3653546573 0.664162234839} O3 5 1
14 {} {0.286218966739 0.520031208885 0.689443887492} Si3 6 1
14 {} {0.502347757203 0.639784963826 0.430462218706} Si4 7 1
1 {} {0.330613969152 0.116882509687 0.664653206219} H1 8 1
1 {} {0.21323813873 0.232875807189 0.480969171379} H2 9 1
1 {} {0.655492963723 0.263684968693 0.325689664448} H3 10 1
1 {} {0.689593111848 0.337537218059 0.55169179829} H4 11 1
1 {} {0.13537948938 0.533206156185 0.691697172828} H5 12 1
1 {} {0.343492841015 0.568570402839 0.820262756417} H6 13 1
1 {} {0.391752838673 0.760580186492 0.422170828495} H7 14 1
1 {} {0.531820417212 0.683235965014 0.291725973768} H8 15 1
1 {} {0.596122931838 0.69115880099 0.532999858056} H10 16 1
8 {} {0.349815667404 0.605793331137 0.559323152261} O 17 1
1 {} {0.329972925842 0.694245334579 0.503189301644} 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