./iterations/neb0_image09_iter132.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 {} {0.471922148513 0.214748114988 0.494161314129} O1 1 1
14 {} {0.334851573497 0.216168215518 0.584717869532} Si1 2 1
14 {} {0.603811326501 0.299255493302 0.444462590009} Si2 3 1
8 {} {0.562978304904 0.452322704814 0.400343267916} O2 4 1
8 {} {0.326541000454 0.352301058256 0.677085387538} O3 5 1
14 {} {0.297615762136 0.514254803891 0.671092498537} Si3 6 1
14 {} {0.508471929842 0.598679659498 0.451572271361} Si4 7 1
1 {} {0.338346345128 0.0999695318177 0.676787472436} H1 8 1
1 {} {0.217740454908 0.210971012263 0.492797236353} H2 9 1
1 {} {0.658981032151 0.230513271086 0.3250518699} H3 10 1
1 {} {0.702627846686 0.30693727191 0.556000005535} H4 11 1
1 {} {0.151700343747 0.539171366227 0.656937838528} H5 12 1
1 {} {0.352295230838 0.573439102153 0.796121889741} H6 13 1
1 {} {0.322245871735 0.88676947251 0.416640719868} H7 14 1
1 {} {0.47516628664 0.677451513935 0.330574004831} H8 15 1
1 {} {0.612533926534 0.664888361023 0.535651766648} H10 16 1
8 {} {0.370950966724 0.581814976111 0.540530603194} O 17 1
1 {} {0.301305792949 0.852862039982 0.480529331489} 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