./iterations/neb0_image08_iter257.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.472709172882 0.221643082641 0.493722787101} O1 1 1
14 {} {0.331696413806 0.217236364929 0.577365842918} Si1 2 1
14 {} {0.613643265123 0.294835965115 0.452720776755} Si2 3 1
8 {} {0.589740934268 0.454753757347 0.424459299963} O2 4 1
8 {} {0.315318010709 0.351009142261 0.671505924144} O3 5 1
14 {} {0.299363744009 0.514418038008 0.665035268817} Si3 6 1
14 {} {0.509521227567 0.59626655024 0.446082507721} Si4 7 1
1 {} {0.333672439893 0.0990944138934 0.66702509292} H1 8 1
1 {} {0.220760541044 0.210788602572 0.478451561592} H2 9 1
1 {} {0.663348688195 0.231915489771 0.32772992329} H3 10 1
1 {} {0.710944231253 0.280425729267 0.564730891158} H4 11 1
1 {} {0.155707064481 0.552421970589 0.658279698819} H5 12 1
1 {} {0.3673450341 0.57033765093 0.785361885911} H6 13 1
1 {} {0.312979482349 0.91530799034 0.474827299715} H7 14 1
1 {} {0.472875179357 0.65231299953 0.313362082267} H8 15 1
1 {} {0.596901729728 0.68789534266 0.5249937436} H10 16 1
8 {} {0.368852398397 0.571994484914 0.527530137273} O 17 1
1 {} {0.274706664231 0.849860307052 0.477873009393} 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
12 5 0 0
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
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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