./iterations/neb0_image05_iter34.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.469759291565 0.226520183514 0.483550323461} O1 1 1
14 {} {0.332618839109 0.235908328545 0.574056310434} Si1 2 1
14 {} {0.593158809074 0.325244115231 0.439222581581} Si2 3 1
8 {} {0.533717520988 0.476536066794 0.403013219617} O2 4 1
8 {} {0.333483636903 0.373113578258 0.65739455942} O3 5 1
14 {} {0.282618185873 0.523759283254 0.691906470369} Si3 6 1
14 {} {0.50356717018 0.640764876772 0.423534254434} Si4 7 1
1 {} {0.330814351989 0.115870128173 0.662619059122} H1 8 1
1 {} {0.216214754197 0.232436722865 0.482125409053} H2 9 1
1 {} {0.66155951068 0.249393038019 0.32854113144} H3 10 1
1 {} {0.691688875509 0.331035050232 0.551072368073} H4 11 1
1 {} {0.137060076866 0.52491321111 0.69915687269} H5 12 1
1 {} {0.339890169427 0.562437356094 0.819860436535} H6 13 1
1 {} {0.375454693049 0.767890793796 0.425991799274} H7 14 1
1 {} {0.540106259916 0.684483069321 0.284262931171} H8 15 1
1 {} {0.592729635631 0.682269004553 0.534092466424} H10 16 1
8 {} {0.345269277113 0.616717028252 0.569861707579} O 17 1
1 {} {0.33037507055 0.703226123876 0.500796078724} 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