./iterations/neb0_image09_iter115.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 {} {0.47185250579 0.214628152912 0.494097751451} O1 1 1
14 {} {0.335286909903 0.216272418523 0.585424065148} Si1 2 1
14 {} {0.603563071198 0.299450113924 0.444598943719} Si2 3 1
8 {} {0.561632931449 0.452128398515 0.401104807681} O2 4 1
8 {} {0.327059137092 0.353239041635 0.676224999921} O3 5 1
14 {} {0.297082567765 0.514892946686 0.670542839015} Si3 6 1
14 {} {0.507833832323 0.59888118575 0.451168262631} Si4 7 1
1 {} {0.338869710186 0.100901948196 0.678964437591} H1 8 1
1 {} {0.217945095811 0.210600652275 0.493792122204} H2 9 1
1 {} {0.658893720476 0.231515723278 0.324959443035} H3 10 1
1 {} {0.702173340984 0.307193540913 0.556069767443} H4 11 1
1 {} {0.151005344812 0.538333103572 0.657185199404} H5 12 1
1 {} {0.35141514211 0.57456016016 0.795348440976} H6 13 1
1 {} {0.322858775419 0.88297837281 0.415027997034} H7 14 1
1 {} {0.476358678812 0.677946243834 0.32996186972} H8 15 1
1 {} {0.612058943284 0.664405117491 0.535217982572} H10 16 1
8 {} {0.370205534563 0.582319722492 0.539791483868} O 17 1
1 {} {0.303990917039 0.852271140375 0.481577550442} 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