iterations/neb0_image05_iter280.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.470709830001 0.273319729879 0.492795857846} O1 1 1
14 {} {0.325128378073 0.235450941687 0.557250412931} Si1 2 1
14 {} {0.614322741541 0.349390292021 0.475264161947} Si2 3 1
8 {} {0.607033842012 0.505200525009 0.527998511293} O2 4 1
8 {} {0.249111214886 0.364473999273 0.62226705394} O3 5 1
14 {} {0.232788669071 0.525550944708 0.651018915879} Si3 6 1
14 {} {0.58030538454 0.655282881856 0.464163679535} Si4 7 1
1 {} {0.343068114001 0.139483070883 0.668436864036} H1 8 1
1 {} {0.242931066579 0.178068743644 0.447267069814} H2 9 1
1 {} {0.64571270794 0.349507057455 0.329096967955} H3 10 1
1 {} {0.714656676346 0.277608869272 0.558073152933} H4 11 1
1 {} {0.129076320598 0.547946926264 0.753535372976} H5 12 1
1 {} {0.36515784299 0.573912154755 0.701815606744} H6 13 1
1 {} {0.542161257983 0.747364970802 0.5747891427} H7 14 1
1 {} {0.469881291705 0.648408150873 0.363252739211} H8 15 1
1 {} {0.701461972364 0.702009077972 0.39319534097} H10 16 1
8 {} {0.171567026693 0.60626962617 0.520387571788} O 17 1
1 {} {0.205011722972 0.593270181474 0.430449796009} 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