./iterations/neb0_image07_iter176.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.471349860299 0.240330417087 0.493672846541} O1 1 1
14 {} {0.332449678561 0.222349010646 0.579168719416} Si1 2 1
14 {} {0.616598721659 0.30400579708 0.451264062645} Si2 3 1
8 {} {0.599475932142 0.464279956944 0.419099013752} O2 4 1
8 {} {0.304174736114 0.348144427933 0.682375410244} O3 5 1
14 {} {0.290686978295 0.510184373617 0.655092784753} Si3 6 1
14 {} {0.495077776698 0.590746786979 0.437393606001} Si4 7 1
1 {} {0.345166934653 0.100279648712 0.66268881457} H1 8 1
1 {} {0.222051536779 0.212957671828 0.478919538981} H2 9 1
1 {} {0.664795332027 0.236467361759 0.328018314727} H3 10 1
1 {} {0.712757917742 0.282545631836 0.563465024323} H4 11 1
1 {} {0.147632596102 0.548775486986 0.657144934033} H5 12 1
1 {} {0.368745262698 0.584152826437 0.757087845453} H6 13 1
1 {} {0.347317049291 0.90248121295 0.496632227773} H7 14 1
1 {} {0.460491285861 0.647303197525 0.304470517584} H8 15 1
1 {} {0.560513380802 0.691300760067 0.526212803111} H10 16 1
8 {} {0.353368378922 0.543245375702 0.506128580223} O 17 1
1 {} {0.317432616795 0.842967868964 0.532222779837} 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