./iterations/neb0_image02_iter142.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.466246613251 0.244881461374 0.485739301823} O1 1 1
14 {} {0.328876535322 0.24067361124 0.576113202892} Si1 2 1
14 {} {0.589076762339 0.338798190315 0.430324233204} Si2 3 1
8 {} {0.531909952572 0.481168254149 0.372512345966} O2 4 1
8 {} {0.323779029258 0.367395104537 0.680949256824} O3 5 1
14 {} {0.255851184268 0.512018656295 0.721081999563} Si3 6 1
14 {} {0.543689649853 0.645304445585 0.368883854506} Si4 7 1
1 {} {0.33236953934 0.114608421942 0.65546240992} H1 8 1
1 {} {0.210933533087 0.244969591502 0.484492687278} H2 9 1
1 {} {0.654768516674 0.264485966218 0.319315265529} H3 10 1
1 {} {0.68406883779 0.3674707057 0.542006848812} H4 11 1
1 {} {0.109449244993 0.493136151514 0.740842527117} H5 12 1
1 {} {0.326422159576 0.556884272947 0.844165417539} H6 13 1
1 {} {0.409820376429 0.699850099094 0.334402618062} H7 14 1
1 {} {0.644795027177 0.686680451697 0.26720514181} H8 15 1
1 {} {0.585407988717 0.699293722957 0.502430452864} H10 16 1
8 {} {0.271523462194 0.623156396903 0.600674422665} O 17 1
1 {} {0.341097684712 0.69174245664 0.60445610545} 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
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 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 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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