./iterations/neb0_image01_iter138.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 {} {0.466598849149 0.247966173582 0.475552030655} O1 1 1
14 {} {0.327563497445 0.250245063579 0.563104751241} Si1 2 1
14 {} {0.598439186934 0.333768777556 0.428483313665} Si2 3 1
8 {} {0.554640257056 0.476157489973 0.359466473919} O2 4 1
8 {} {0.328463104721 0.378821966859 0.665242790808} O3 5 1
14 {} {0.259386854029 0.514552447479 0.728369473648} Si3 6 1
14 {} {0.534491453597 0.639117401625 0.368105887029} Si4 7 1
1 {} {0.322844663574 0.125208704031 0.643696082399} H1 8 1
1 {} {0.211779007902 0.259923183767 0.469649476941} H2 9 1
1 {} {0.669219148983 0.252884744193 0.325752934139} H3 10 1
1 {} {0.683392784087 0.362397266159 0.547662798545} H4 11 1
1 {} {0.113634669095 0.492126039382 0.749517023156} H5 12 1
1 {} {0.333426303404 0.540886160377 0.854947061991} H6 13 1
1 {} {0.393977463979 0.672728221585 0.332117388752} H7 14 1
1 {} {0.629510986427 0.705976621911 0.274600017391} H8 15 1
1 {} {0.562054615201 0.688297185225 0.507591546762} H10 16 1
8 {} {0.267751520647 0.643582817583 0.626097102291} O 17 1
1 {} {0.352911675491 0.687877674996 0.611101805479} 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