./iterations/neb0_image06_iter165.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.473079485145 0.228389092392 0.484731295634} O1 1 1
14 {} {0.331279497663 0.222959532379 0.567891879596} Si1 2 1
14 {} {0.608969960328 0.315900882094 0.451960520785} Si2 3 1
8 {} {0.567878330959 0.472335809869 0.444332467202} O2 4 1
8 {} {0.305107188142 0.355774222981 0.660927210356} O3 5 1
14 {} {0.283847059642 0.518045551641 0.657808402163} Si3 6 1
14 {} {0.485523295572 0.611708040361 0.445324295712} Si4 7 1
1 {} {0.337602684181 0.106509187824 0.660189499921} H1 8 1
1 {} {0.224952438842 0.207722699968 0.464617897298} H2 9 1
1 {} {0.663616486263 0.280737381834 0.316453640305} H3 10 1
1 {} {0.708472457355 0.297135157575 0.563646390361} H4 11 1
1 {} {0.141734183284 0.540311524036 0.699514959024} H5 12 1
1 {} {0.373465036073 0.583797285981 0.756508920628} H6 13 1
1 {} {0.393781887551 0.817894578444 0.513626169795} H7 14 1
1 {} {0.471211291645 0.657399861731 0.304033514292} H8 15 1
1 {} {0.579354904954 0.702163990106 0.520516274926} H10 16 1
8 {} {0.331764876636 0.575060586939 0.509148399826} O 17 1
1 {} {0.328444874938 0.778672441784 0.509826298363} 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