./iterations/neb0_image03_iter57.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.468293436187 0.230358601995 0.479756473665} O1 1 1
14 {} {0.330245338717 0.238831221403 0.569097282237} Si1 2 1
14 {} {0.59097664194 0.331381463146 0.434463333431} Si2 3 1
8 {} {0.53138682267 0.475762711299 0.386280670951} O2 4 1
8 {} {0.331033533249 0.372361867364 0.664152322521} O3 5 1
14 {} {0.272673987407 0.519254104299 0.707649678043} Si3 6 1
14 {} {0.527522402526 0.641303411567 0.390027386179} Si4 7 1
1 {} {0.328360427418 0.120430194709 0.65946391019} H1 8 1
1 {} {0.212583423048 0.240249327209 0.476534965547} H2 9 1
1 {} {0.659072955596 0.265210611199 0.319668798646} H3 10 1
1 {} {0.684756714777 0.350773113902 0.549804775945} H4 11 1
1 {} {0.124296767987 0.514943770622 0.720134971785} H5 12 1
1 {} {0.338738730171 0.560566549703 0.834076660425} H6 13 1
1 {} {0.389518807263 0.693995838705 0.374744384266} H7 14 1
1 {} {0.604598156084 0.690653323262 0.273929699509} H8 15 1
1 {} {0.590062772799 0.69059616462 0.515859337158} H10 16 1
8 {} {0.314984226365 0.619497881991 0.584516398004} O 17 1
1 {} {0.310980967892 0.71634780323 0.590896941322} 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