iterations/neb0_image03_iter147.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.461502935468 0.254602482237 0.491607946515} O1 1 1
14 {} {0.326110363239 0.23445423662 0.581629171625} Si1 2 1
14 {} {0.582021518581 0.347331641121 0.431756046415} Si2 3 1
8 {} {0.524846447915 0.49094707644 0.378124357002} O2 4 1
8 {} {0.312610499624 0.350592180319 0.69763915669} O3 5 1
14 {} {0.264758804014 0.506604244825 0.724712535842} Si3 6 1
14 {} {0.553423356463 0.652368176653 0.370046406735} Si4 7 1
1 {} {0.335710215266 0.102218406727 0.64981013899} H1 8 1
1 {} {0.208011998609 0.239849823228 0.490251773403} H2 9 1
1 {} {0.643609372949 0.272748576198 0.319454371658} H3 10 1
1 {} {0.682373242944 0.372459292519 0.538307873375} H4 11 1
1 {} {0.116003733262 0.518051835362 0.724935554949} H5 12 1
1 {} {0.323560826389 0.542566567038 0.855012519825} H6 13 1
1 {} {0.423166265017 0.716224806814 0.334428617859} H7 14 1
1 {} {0.653372296401 0.679887699515 0.263214427459} H8 15 1
1 {} {0.605889419478 0.70943102333 0.497733653988} H10 16 1
8 {} {0.325504044625 0.606104010714 0.606242304706} O 17 1
1 {} {0.267610847959 0.676075958562 0.576150973889} 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