iterations/neb0_image07_iter142.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 {} {0.470947559686 0.235189374367 0.492811064813} O1 1 1
14 {} {0.330966146167 0.222226713205 0.577818175876} Si1 2 1
14 {} {0.611313226437 0.307823622731 0.449753468027} Si2 3 1
8 {} {0.592376692751 0.467614983969 0.417100946575} O2 4 1
8 {} {0.314760022339 0.351461221213 0.679024817296} O3 5 1
14 {} {0.294365493057 0.513414359017 0.661772442084} Si3 6 1
14 {} {0.499052326832 0.602117237517 0.444831193365} Si4 7 1
1 {} {0.334652874499 0.0985506359327 0.66003097596} H1 8 1
1 {} {0.216840487792 0.217425584874 0.481613874183} H2 9 1
1 {} {0.660579485178 0.23552649769 0.329932267876} H3 10 1
1 {} {0.708178819241 0.295227055716 0.561470602223} H4 11 1
1 {} {0.149926499829 0.545933330253 0.657878888005} H5 12 1
1 {} {0.367522759788 0.583971271069 0.769985667533} H6 13 1
1 {} {0.349043931613 0.864902231553 0.468023309581} H7 14 1
1 {} {0.452148489605 0.669074130637 0.321252045375} H8 15 1
1 {} {0.58106506697 0.692833910661 0.530147339909} H10 16 1
8 {} {0.358659735878 0.559910294362 0.518023614249} O 17 1
1 {} {0.317686421722 0.809315392767 0.509587197043} 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