./iterations/neb0_image04_iter146.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 {} {0.464151587066 0.245896344619 0.485633095796} O1 1 1
14 {} {0.326946352872 0.228349868942 0.572547773051} Si1 2 1
14 {} {0.586661228864 0.345091193754 0.441477377096} Si2 3 1
8 {} {0.532286624901 0.496094886064 0.412169067331} O2 4 1
8 {} {0.307697425861 0.352576687811 0.678776324788} O3 5 1
14 {} {0.263668816911 0.509501935383 0.704817699777} Si3 6 1
14 {} {0.545488622066 0.660432051617 0.402503284135} Si4 7 1
1 {} {0.334198240527 0.104667789595 0.653937783937} H1 8 1
1 {} {0.21386956572 0.223359762911 0.476423744661} H2 9 1
1 {} {0.647611463021 0.283566007954 0.320160297103} H3 10 1
1 {} {0.690751974481 0.349839324556 0.549284805124} H4 11 1
1 {} {0.115871918504 0.522983732917 0.722918581891} H5 12 1
1 {} {0.342214869791 0.554930878989 0.822522115993} H6 13 1
1 {} {0.418017788869 0.732863843422 0.407928327514} H7 14 1
1 {} {0.601705885314 0.689683450219 0.266604259801} H8 15 1
1 {} {0.640669897292 0.708259462019 0.50700726019} H10 16 1
8 {} {0.313049793005 0.595169073252 0.573037696767} O 17 1
1 {} {0.265224002788 0.669251583305 0.533308536502} 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