./iterations/neb0_image06_iter111.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.470180067562 0.226040381234 0.491012997374} O1 1 1
14 {} {0.330299760128 0.223091867633 0.576629023115} Si1 2 1
14 {} {0.597482784908 0.320422055865 0.448149972582} Si2 3 1
8 {} {0.553652429663 0.471960209397 0.412259430715} O2 4 1
8 {} {0.323748725644 0.353255697262 0.67717107301} O3 5 1
14 {} {0.294696255389 0.51483812617 0.67156149529} Si3 6 1
14 {} {0.496036393022 0.620642758214 0.445913303288} Si4 7 1
1 {} {0.327675312395 0.099471655713 0.658111546102} H1 8 1
1 {} {0.214809410398 0.228333245863 0.483433882182} H2 9 1
1 {} {0.653151118932 0.265582206284 0.322885700973} H3 10 1
1 {} {0.695752688871 0.323997012379 0.56031906354} H4 11 1
1 {} {0.1476688765 0.539177829964 0.669893090732} H5 12 1
1 {} {0.359374243094 0.575722009977 0.791176522791} H6 13 1
1 {} {0.373557819528 0.800643580258 0.453680888271} H7 14 1
1 {} {0.494753121361 0.67977181199 0.30783479693} H8 15 1
1 {} {0.591237325431 0.697771413334 0.530846066355} H10 16 1
8 {} {0.356937003089 0.580566444149 0.533876794634} O 17 1
1 {} {0.329072760774 0.751229647748 0.496302352095} 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