./iterations/neb0_image05_iter152.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.474503211322 0.229782078578 0.483260143922} O1 1 1
14 {} {0.33080202752 0.227192567559 0.567213749922} Si1 2 1
14 {} {0.595857833475 0.338348420416 0.456223946858} Si2 3 1
8 {} {0.533410753919 0.491878331127 0.468689603048} O2 4 1
8 {} {0.306503833988 0.362679639069 0.655334700588} O3 5 1
14 {} {0.263528703274 0.522208838898 0.668568485444} Si3 6 1
14 {} {0.541884344795 0.655069596366 0.436850564877} Si4 7 1
1 {} {0.334439686068 0.111519225032 0.662995044637} H1 8 1
1 {} {0.223234166462 0.20692803466 0.465143799147} H2 9 1
1 {} {0.649812813797 0.309186092064 0.319692249734} H3 10 1
1 {} {0.701327974782 0.31867831485 0.562295529717} H4 11 1
1 {} {0.128390991786 0.530484496764 0.733339654815} H5 12 1
1 {} {0.370737238123 0.587422059119 0.752323336027} H6 13 1
1 {} {0.443933205007 0.753281802414 0.498109327125} H7 14 1
1 {} {0.516048481174 0.660435232001 0.286169542799} H8 15 1
1 {} {0.669337152244 0.705338169284 0.489297347704} H10 16 1
8 {} {0.255517718437 0.582509622039 0.514306762657} O 17 1
1 {} {0.270815886535 0.679575398351 0.511244309304} 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