./iterations/neb0_image09_iter72.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472320553431 0.213104270396 0.494831867885} O1 1 1
14 {} {0.336178693732 0.216338578825 0.586478591188} Si1 2 1
14 {} {0.603115353064 0.299101688616 0.4449970516} Si2 3 1
8 {} {0.55972293237 0.451593488872 0.4019997904} O2 4 1
8 {} {0.328777391879 0.354986059351 0.674879361812} O3 5 1
14 {} {0.296673353774 0.516137676551 0.669344605198} Si3 6 1
14 {} {0.506765498965 0.599175961067 0.451010194809} Si4 7 1
1 {} {0.339976454799 0.102407430751 0.681358341097} H1 8 1
1 {} {0.218473630291 0.209115098465 0.495900132749} H2 9 1
1 {} {0.658918045285 0.232267571397 0.324842835142} H3 10 1
1 {} {0.701754591387 0.306203124142 0.556547552283} H4 11 1
1 {} {0.150331163199 0.538135959472 0.655605144416} H5 12 1
1 {} {0.351290535031 0.576468300276 0.793889597962} H6 13 1
1 {} {0.323463622957 0.878008011302 0.413823734169} H7 14 1
1 {} {0.475837115163 0.678490568786 0.329583314302} H8 15 1
1 {} {0.610984299254 0.663661131795 0.535976301811} H10 16 1
8 {} {0.368285311878 0.585077505455 0.53829511905} O 17 1
1 {} {0.307217619109 0.852245514111 0.481694441418} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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