./iterations/neb0_image07_iter237.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.475584747561 0.22525684926 0.497568598938} O1 1 1
14 {} {0.335400409568 0.214679865437 0.582564106725} Si1 2 1
14 {} {0.615575879361 0.29793576444 0.453927057196} Si2 3 1
8 {} {0.593734647722 0.458140500676 0.426600768507} O2 4 1
8 {} {0.310630815553 0.349823811648 0.673238784147} O3 5 1
14 {} {0.291198567238 0.511045081457 0.648091485868} Si3 6 1
14 {} {0.496708741483 0.590064514457 0.432016990508} Si4 7 1
1 {} {0.342755753416 0.100309228264 0.675714600914} H1 8 1
1 {} {0.223859230462 0.199095337065 0.485573639803} H2 9 1
1 {} {0.659693274562 0.233008138997 0.328240416681} H3 10 1
1 {} {0.716791126378 0.285420481683 0.56232344929} H4 11 1
1 {} {0.1471718946 0.548227095173 0.647629607876} H5 12 1
1 {} {0.366049292006 0.579696881509 0.757075417149} H6 13 1
1 {} {0.340537245798 0.925719208504 0.503393754211} H7 14 1
1 {} {0.469879680348 0.635244515492 0.29346157497} H8 15 1
1 {} {0.561191990769 0.694056965438 0.516030783861} H10 16 1
8 {} {0.351167579226 0.553540858941 0.500734788936} O 17 1
1 {} {0.312155003333 0.871252726826 0.546871928333} 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