iterations/neb0_image02_iter134.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 {} {0.467461761776 0.241700397256 0.482498636563} O1 1 1
14 {} {0.329262985642 0.241925623869 0.571427072851} Si1 2 1
14 {} {0.592013331758 0.335454904446 0.431020749595} Si2 3 1
8 {} {0.536167972431 0.478414889806 0.373688601877} O2 4 1
8 {} {0.326834691903 0.370632974117 0.672835729495} O3 5 1
14 {} {0.260221372325 0.513624361445 0.718668187967} Si3 6 1
14 {} {0.537948206548 0.643111407566 0.373107075336} Si4 7 1
1 {} {0.328715777454 0.118015382362 0.653424444077} H1 8 1
1 {} {0.212027888713 0.247044936071 0.479759587158} H2 9 1
1 {} {0.659115742638 0.262044518402 0.320347832639} H3 10 1
1 {} {0.683768989424 0.361851865663 0.545611292644} H4 11 1
1 {} {0.114239743595 0.494686932202 0.739322996198} H5 12 1
1 {} {0.331706461035 0.556694060473 0.842062246116} H6 13 1
1 {} {0.400869587296 0.693071578074 0.343228828531} H7 14 1
1 {} {0.633006087477 0.690965133751 0.269088295152} H8 15 1
1 {} {0.58179381557 0.695474722862 0.506472552798} H10 16 1
8 {} {0.274636630648 0.628605473511 0.600069614922} O 17 1
1 {} {0.340295059349 0.699198815933 0.608424299438} 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