./iterations/neb0_image08_iter104.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished
#MD System 2.0

@Title neb0_image08

@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 {} {0.47136884262 0.220102616894 0.489865665623} O1 1 1
14 {} {0.332339292529 0.22064351963 0.577632947393} Si1 2 1
14 {} {0.603101285456 0.306834250811 0.44498905345} Si2 3 1
8 {} {0.562648927701 0.459769579002 0.40148862227} O2 4 1
8 {} {0.327771386405 0.350963951607 0.677885240088} O3 5 1
14 {} {0.299159123857 0.513104566649 0.675989686711} Si3 6 1
14 {} {0.505611730235 0.604277649772 0.453448699877} Si4 7 1
1 {} {0.329126755732 0.0991227590603 0.662056390613} H1 8 1
1 {} {0.217653164372 0.227430001728 0.483314267029} H2 9 1
1 {} {0.66327657432 0.242997270887 0.325392431209} H3 10 1
1 {} {0.6980623724 0.313823757312 0.559583663413} H4 11 1
1 {} {0.152760001777 0.538677642865 0.665918369051} H5 12 1
1 {} {0.35661608626 0.56994791311 0.800923657752} H6 13 1
1 {} {0.332864596946 0.851613738558 0.419549266649} H7 14 1
1 {} {0.473873214224 0.682643821686 0.33192227568} H8 15 1
1 {} {0.608775289786 0.672109540755 0.536153805236} H10 16 1
8 {} {0.370458848522 0.582550415868 0.544930581048} O 17 1
1 {} {0.304618655179 0.815904982375 0.480013328312} 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