./iterations/neb0_image02_iter266.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.456820495035 0.26657511136 0.488677908564} O1 1 1
14 {} {0.326302107936 0.240680289373 0.58391878956} Si1 2 1
14 {} {0.583848273162 0.349709782858 0.427752318385} Si2 3 1
8 {} {0.533714910284 0.493030827391 0.365496478324} O2 4 1
8 {} {0.310965756685 0.356285246203 0.699085657044} O3 5 1
14 {} {0.242494272464 0.502609724328 0.733194258259} Si3 6 1
14 {} {0.563175959498 0.655087693737 0.356563107019} Si4 7 1
1 {} {0.345808684506 0.110496296098 0.652727896517} H1 8 1
1 {} {0.205099555795 0.238761676363 0.497675404785} H2 9 1
1 {} {0.641938812181 0.268104166214 0.318180062044} H3 10 1
1 {} {0.682133168672 0.376113053019 0.536889793074} H4 11 1
1 {} {0.0963652484628 0.485269947914 0.750539537669} H5 12 1
1 {} {0.310996099894 0.553392187828 0.855198600104} H6 13 1
1 {} {0.437571869645 0.721300458016 0.311661808869} H7 14 1
1 {} {0.673805788722 0.68249050378 0.260651949674} H8 15 1
1 {} {0.602418969786 0.708227652386 0.490890878933} H10 16 1
8 {} {0.255858023766 0.609608395596 0.607914124748} O 17 1
1 {} {0.340768370023 0.654775161282 0.59403925274} 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
12 5 0 0
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
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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