./iterations/neb0_image06_iter166.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 {} {0.473672836749 0.227797674827 0.484801167741} O1 1 1
14 {} {0.331240146343 0.222715683907 0.567689339804} Si1 2 1
14 {} {0.608697738966 0.315749582515 0.452159234616} Si2 3 1
8 {} {0.567795684068 0.472258767302 0.444906447676} O2 4 1
8 {} {0.30501213622 0.355963861819 0.660655846815} O3 5 1
14 {} {0.284164341709 0.518238920158 0.65769890723} Si3 6 1
14 {} {0.485192063411 0.611835342628 0.445251905011} Si4 7 1
1 {} {0.337901132038 0.10667281414 0.660113896335} H1 8 1
1 {} {0.224907529129 0.20722684963 0.464343280787} H2 9 1
1 {} {0.663659511771 0.281004365755 0.31664130311} H3 10 1
1 {} {0.708547211189 0.296570592155 0.563444085767} H4 11 1
1 {} {0.141913604555 0.54064370543 0.699526016633} H5 12 1
1 {} {0.373622871034 0.583437674924 0.756865326835} H6 13 1
1 {} {0.393354340081 0.817801411275 0.514372038079} H7 14 1
1 {} {0.471361024138 0.657194888967 0.303876185094} H8 15 1
1 {} {0.579371104861 0.702429217027 0.520207505252} H10 16 1
8 {} {0.331499784202 0.575717991977 0.509148940875} O 17 1
1 {} {0.328172877205 0.77925848334 0.509356612354} 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