./iterations/neb0_image07_iter239.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 {} {0.476476394039 0.222040301109 0.49946158248} O1 1 1
14 {} {0.336092530374 0.213361910452 0.583813323982} Si1 2 1
14 {} {0.615794124379 0.296088097589 0.454889066937} Si2 3 1
8 {} {0.592468217958 0.456363459576 0.428849059619} O2 4 1
8 {} {0.311355180886 0.350808413742 0.671025875767} O3 5 1
14 {} {0.290943515625 0.511993043203 0.646103461791} Si3 6 1
14 {} {0.497145613344 0.589529336808 0.429924934026} Si4 7 1
1 {} {0.342850670901 0.100477945866 0.679813829874} H1 8 1
1 {} {0.224994929238 0.194920439953 0.485748447025} H2 9 1
1 {} {0.659935089882 0.23301079836 0.3280049992} H3 10 1
1 {} {0.717656790431 0.282980330715 0.562484436592} H4 11 1
1 {} {0.147337773281 0.547474106921 0.645171112099} H5 12 1
1 {} {0.36589892012 0.579977363694 0.754913794641} H6 13 1
1 {} {0.339516637659 0.932321443921 0.506994955869} H7 14 1
1 {} {0.469506441948 0.63306040878 0.291183674569} H8 15 1
1 {} {0.562818257145 0.694897254148 0.51262655404} H10 16 1
8 {} {0.348990163323 0.554475569987 0.500173294894} O 17 1
1 {} {0.310304595032 0.878737596617 0.549875323212} 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