./iterations/neb0_image04_iter170.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.46599252099 0.24950875119 0.488096375806} O1 1 1
14 {} {0.325911756964 0.230021265582 0.571601831472} Si1 2 1
14 {} {0.590162734025 0.346101199383 0.442734014323} Si2 3 1
8 {} {0.539080602049 0.498407760255 0.412525764648} O2 4 1
8 {} {0.298325104177 0.351860282619 0.677792907149} O3 5 1
14 {} {0.256895380861 0.508739181942 0.706286156073} Si3 6 1
14 {} {0.55719713418 0.661318679257 0.398153067754} Si4 7 1
1 {} {0.338413243298 0.105673902718 0.651528882121} H1 8 1
1 {} {0.215137873948 0.219597304971 0.472028343672} H2 9 1
1 {} {0.64808088725 0.291346486648 0.316939712984} H3 10 1
1 {} {0.691494857817 0.344601899656 0.553080048418} H4 11 1
1 {} {0.111254297811 0.518426199882 0.737706137679} H5 12 1
1 {} {0.341951301576 0.554623871 0.819781567716} H6 13 1
1 {} {0.429986188192 0.732790393533 0.417255618562} H7 14 1
1 {} {0.60797978761 0.69101259666 0.262492826199} H8 15 1
1 {} {0.650869869068 0.710937950287 0.500987431612} H10 16 1
8 {} {0.29506302976 0.591221397287 0.568958190844} O 17 1
1 {} {0.246289480309 0.666328730447 0.53310918959} 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