./iterations/neb0_image06_iter122.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.470153785108 0.227719744045 0.489859439291} O1 1 1
14 {} {0.329826442567 0.224288413249 0.574763048464} Si1 2 1
14 {} {0.600072174717 0.319310191155 0.448877421688} Si2 3 1
8 {} {0.558029827247 0.47216808433 0.417407359828} O2 4 1
8 {} {0.322436882759 0.353963760385 0.675623627546} O3 5 1
14 {} {0.292995321753 0.515501042803 0.668305684903} Si3 6 1
14 {} {0.49466159647 0.62009686649 0.445395819494} Si4 7 1
1 {} {0.32893461929 0.100877419359 0.65757012956} H1 8 1
1 {} {0.214032735992 0.226122622935 0.480272315576} H2 9 1
1 {} {0.654397888208 0.263717783883 0.3233546171} H3 10 1
1 {} {0.698280099285 0.322117151075 0.560428254808} H4 11 1
1 {} {0.145741365429 0.537177846018 0.674670508345} H5 12 1
1 {} {0.361426167881 0.577966022857 0.785204758375} H6 13 1
1 {} {0.379229144789 0.801518425684 0.463869432934} H7 14 1
1 {} {0.487994719286 0.680322333416 0.30737091812} H8 15 1
1 {} {0.591273744865 0.698902348562 0.530783152591} H10 16 1
8 {} {0.351727643328 0.576625561855 0.526715127497} O 17 1
1 {} {0.328871933445 0.754122310217 0.500586371948} 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