./iterations/neb0_image04_iter132.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.466200265609 0.239950056769 0.488481494512} O1 1 1
14 {} {0.327588850604 0.228271295495 0.5750272777} Si1 2 1
14 {} {0.586705437851 0.341638605393 0.440816101433} Si2 3 1
8 {} {0.525699641494 0.490715261251 0.407779058647} O2 4 1
8 {} {0.314759627332 0.353957776578 0.68081274906} O3 5 1
14 {} {0.275207079981 0.511558191992 0.701156185697} Si3 6 1
14 {} {0.535148125258 0.655180415795 0.402080290775} Si4 7 1
1 {} {0.33143638014 0.102454011128 0.655372473443} H1 8 1
1 {} {0.209651198348 0.229276525886 0.482891575267} H2 9 1
1 {} {0.644873933 0.279897992775 0.318845138904} H3 10 1
1 {} {0.686385806258 0.354056298281 0.550654357198} H4 11 1
1 {} {0.127662239657 0.527387346967 0.703242014185} H5 12 1
1 {} {0.340514551706 0.55727995725 0.826051997667} H6 13 1
1 {} {0.408845662403 0.735514598978 0.39798543953} H7 14 1
1 {} {0.59510471011 0.685693560817 0.270142239665} H8 15 1
1 {} {0.619504407411 0.703635388614 0.514295404264} H10 16 1
8 {} {0.333397696313 0.601497465802 0.575386833121} O 17 1
1 {} {0.281400451243 0.674553168643 0.540037375213} 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