./iterations/neb0_image09_iter224.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 {} {0.472285677718 0.215144535305 0.493779577533} O1 1 1
14 {} {0.333166465472 0.214910072204 0.581669375695} Si1 2 1
14 {} {0.606257543882 0.296488794456 0.445123593728} Si2 3 1
8 {} {0.570269261557 0.451682301027 0.403544080382} O2 4 1
8 {} {0.322511064106 0.349144096426 0.676219649369} O3 5 1
14 {} {0.300233299028 0.512387478194 0.672984823556} Si3 6 1
14 {} {0.511495607513 0.596927180824 0.452781416542} Si4 7 1
1 {} {0.334315500829 0.0966300350414 0.671256997781} H1 8 1
1 {} {0.218784855099 0.211468862857 0.486316494309} H2 9 1
1 {} {0.659144541711 0.228658219835 0.32418622656} H3 10 1
1 {} {0.705679758008 0.298184847413 0.556390713743} H4 11 1
1 {} {0.155330046494 0.542971135264 0.65936580926} H5 12 1
1 {} {0.357883048746 0.567743234247 0.798551950522} H6 13 1
1 {} {0.316540057854 0.913491043984 0.43151624042} H7 14 1
1 {} {0.474302247484 0.6733515725 0.33111351356} H8 15 1
1 {} {0.61491797785 0.666655305677 0.53450120131} H10 16 1
8 {} {0.375780479093 0.579035754368 0.543207065582} O 17 1
1 {} {0.281188677585 0.857643489597 0.46854889575} 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