./iterations/neb0_image08_iter94.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471653172244 0.218811468127 0.48965536572} O1 1 1
14 {} {0.332841425994 0.221028268764 0.577948893678} Si1 2 1
14 {} {0.602939408477 0.3071232328 0.444656852437} Si2 3 1
8 {} {0.560529446287 0.459688803462 0.400111719929} O2 4 1
8 {} {0.328854313527 0.351844269504 0.678400106453} O3 5 1
14 {} {0.298666297079 0.513952391334 0.67578919665} Si3 6 1
14 {} {0.504775336103 0.604672140566 0.453590030862} Si4 7 1
1 {} {0.329662536959 0.099310267038 0.663092127048} H1 8 1
1 {} {0.217561638028 0.226749960316 0.483200248477} H2 9 1
1 {} {0.663402955596 0.244263526972 0.324899826035} H3 10 1
1 {} {0.697423952029 0.313918565742 0.559872756391} H4 11 1
1 {} {0.152299534625 0.538156961863 0.665751459723} H5 12 1
1 {} {0.356432244173 0.570592588466 0.800385616639} H6 13 1
1 {} {0.332869422042 0.846792712305 0.417885425553} H7 14 1
1 {} {0.473113760771 0.683738908879 0.331977250104} H8 15 1
1 {} {0.608850194538 0.671253845739 0.537507041859} H10 16 1
8 {} {0.368571061581 0.584506098114 0.544233801412} O 17 1
1 {} {0.309639433929 0.816113973192 0.482100233221} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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