./iterations/neb0_image09_iter95.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 {} {0.472164454004 0.213652000223 0.494794167108} O1 1 1
14 {} {0.335491551941 0.216329842755 0.58624017511} Si1 2 1
14 {} {0.603115121441 0.299393724515 0.44495164446} Si2 3 1
8 {} {0.561053700517 0.452226613336 0.400790478164} O2 4 1
8 {} {0.328052544002 0.353917405819 0.676190933174} O3 5 1
14 {} {0.296464913147 0.515396050379 0.670176244277} Si3 6 1
14 {} {0.506859003861 0.59915553804 0.450882810753} Si4 7 1
1 {} {0.339586243721 0.101772460177 0.680522667581} H1 8 1
1 {} {0.21819112684 0.209727308151 0.494552999982} H2 9 1
1 {} {0.659114417113 0.232449448172 0.325062300888} H3 10 1
1 {} {0.701978568568 0.305891398376 0.556454413462} H4 11 1
1 {} {0.150197414319 0.538040212985 0.656519538515} H5 12 1
1 {} {0.351337963058 0.57547396328 0.794529262348} H6 13 1
1 {} {0.323245177204 0.879990004016 0.41418620809} H7 14 1
1 {} {0.476505358107 0.678908872741 0.32952859714} H8 15 1
1 {} {0.611772662288 0.663691269676 0.535043094857} H10 16 1
8 {} {0.368925879566 0.584339888333 0.538791040295} O 17 1
1 {} {0.306030073158 0.852161959573 0.481841386029} 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