./iterations/neb0_image03_iter284.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.457757010401 0.262210668059 0.482244097325} O1 1 1
14 {} {0.324272060032 0.240988095199 0.575144380965} Si1 2 1
14 {} {0.589711300861 0.345305730265 0.431914255507} Si2 3 1
8 {} {0.54501497851 0.491530476613 0.372576979505} O2 4 1
8 {} {0.30522257583 0.36313187242 0.682014112494} O3 5 1
14 {} {0.250620556326 0.509746712926 0.732410598384} Si3 6 1
14 {} {0.564140695226 0.655677589685 0.371879842035} Si4 7 1
1 {} {0.341722027694 0.114856182514 0.651228136078} H1 8 1
1 {} {0.207806376891 0.235938626998 0.483555755922} H2 9 1
1 {} {0.651510276896 0.268594141137 0.320574346475} H3 10 1
1 {} {0.68437209723 0.363643857378 0.545742060144} H4 11 1
1 {} {0.103734751173 0.499726478731 0.751132531583} H5 12 1
1 {} {0.319461316182 0.547344627657 0.857460864408} H6 13 1
1 {} {0.429075317525 0.717317472173 0.363048964875} H7 14 1
1 {} {0.64417100885 0.6958469074 0.250200842444} H8 15 1
1 {} {0.633232146731 0.700385853512 0.49743580039} H10 16 1
8 {} {0.293802838503 0.630462949334 0.627744686183} O 17 1
1 {} {0.264458740805 0.629809753535 0.53474932715} 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