iterations/neb0_image02_iter6.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 {} {0.468010353953 0.240355500123 0.475080537839} O1 1 1
14 {} {0.328589725928 0.245477546627 0.560122942065} Si1 2 1
14 {} {0.602820279957 0.323374816058 0.434287149653} Si2 3 1
8 {} {0.562258298476 0.471351721046 0.369771244214} O2 4 1
8 {} {0.332004755362 0.373653779012 0.659251608667} O3 5 1
14 {} {0.269878204498 0.516156421714 0.722832762765} Si3 6 1
14 {} {0.516745692588 0.634684241741 0.379439711859} Si4 7 1
1 {} {0.32030365761 0.124075725174 0.64468059924} H1 8 1
1 {} {0.214313983005 0.256690446882 0.466256349352} H2 9 1
1 {} {0.673171298556 0.245513347369 0.329302494209} H3 10 1
1 {} {0.687661578189 0.344166062507 0.554764179317} H4 11 1
1 {} {0.122954982254 0.493111331493 0.736643291918} H5 12 1
1 {} {0.342331593748 0.536406892827 0.848872777144} H6 13 1
1 {} {0.382319288955 0.711035396085 0.345549938645} H7 14 1
1 {} {0.599320901394 0.701558595978 0.275530252188} H8 15 1
1 {} {0.566604424581 0.686388336783 0.511877357697} H10 16 1
8 {} {0.289176261854 0.643088172337 0.616792963797} O 17 1
1 {} {0.331620860546 0.725429626439 0.600001836274} 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