./iterations/neb0_image07_iter153.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 {} {0.471399278829 0.240064381509 0.492101270373} O1 1 1
14 {} {0.332466228926 0.222152497037 0.577002497752} Si1 2 1
14 {} {0.615119278859 0.306744369639 0.45106311331} Si2 3 1
8 {} {0.598119110327 0.468447290546 0.419445634689} O2 4 1
8 {} {0.309622428138 0.349283699026 0.680608625854} O3 5 1
14 {} {0.292500257774 0.511783949175 0.658154549052} Si3 6 1
14 {} {0.496711927741 0.596324584956 0.440877179822} Si4 7 1
1 {} {0.338649998743 0.099173425442 0.660579899311} H1 8 1
1 {} {0.219859200275 0.215578098739 0.479450158237} H2 9 1
1 {} {0.66307766131 0.235623372748 0.330689029853} H3 10 1
1 {} {0.710551203595 0.285288134669 0.562535593079} H4 11 1
1 {} {0.147095578308 0.548119520716 0.65758582504} H5 12 1
1 {} {0.37064529725 0.586878681249 0.761328937388} H6 13 1
1 {} {0.349390666601 0.881198377009 0.484351599372} H7 14 1
1 {} {0.448609365234 0.661399361697 0.316325530281} H8 15 1
1 {} {0.57264266048 0.691554842499 0.528590126497} H10 16 1
8 {} {0.354809996395 0.549826226274 0.511550858531} O 17 1
1 {} {0.318815863484 0.823077012691 0.518817428629} 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