iterations/neb0_image06_iter289.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 {} {0.466189976233 0.266650521621 0.488799208848} O1 1 1
14 {} {0.321227823175 0.229171294329 0.554801494803} Si1 2 1
14 {} {0.607378714883 0.347967956879 0.476481144092} Si2 3 1
8 {} {0.589423477569 0.495622493247 0.547511220444} O2 4 1
8 {} {0.236772459542 0.352181790816 0.629318171264} O3 5 1
14 {} {0.269060453294 0.511711510423 0.663255575586} Si3 6 1
14 {} {0.495938373529 0.610878892755 0.472661220128} Si4 7 1
1 {} {0.344088924197 0.13286086752 0.664851466328} H1 8 1
1 {} {0.240453981404 0.171304459294 0.444382004218} H2 9 1
1 {} {0.633881151039 0.374772653708 0.333212746657} H3 10 1
1 {} {0.716120944479 0.274298222178 0.544861182586} H4 11 1
1 {} {0.144990848995 0.575447097304 0.715747904484} H5 12 1
1 {} {0.37677804256 0.5346890547 0.761078686434} H6 13 1
1 {} {0.412201383538 0.77126362701 0.46976971091} H7 14 1
1 {} {0.474503482168 0.594977573646 0.327413326784} H8 15 1
1 {} {0.599610289431 0.722163668355 0.468756771615} H10 16 1
8 {} {0.334029015959 0.574028313331 0.525962749597} O 17 1
1 {} {0.347436807406 0.732528273576 0.44219385706} 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
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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