iterations/neb0_image08_iter62.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 {} {0.47167364085 0.215878003915 0.487858456866} O1 1 1
14 {} {0.334323209449 0.221078483661 0.577967864} Si1 2 1
14 {} {0.601771127439 0.306756945817 0.443689021538} Si2 3 1
8 {} {0.556132997761 0.458473219281 0.401885580156} O2 4 1
8 {} {0.331595152527 0.355134300651 0.67401318847} O3 5 1
14 {} {0.297795460547 0.515823601705 0.674840667383} Si3 6 1
14 {} {0.50308102479 0.604619609928 0.45404597717} Si4 7 1
1 {} {0.331883913953 0.102309813185 0.667126404585} H1 8 1
1 {} {0.217098283288 0.224457960589 0.485707747501} H2 9 1
1 {} {0.662584036012 0.243156355053 0.324335075116} H3 10 1
1 {} {0.696713367976 0.318271847078 0.557867100827} H4 11 1
1 {} {0.151301224467 0.537746848071 0.665296008905} H5 12 1
1 {} {0.355007696067 0.57390614954 0.798887771876} H6 13 1
1 {} {0.333139693853 0.836019654211 0.415583318685} H7 14 1
1 {} {0.474654877659 0.683190367177 0.331880349875} H8 15 1
1 {} {0.605736800061 0.670457023523 0.539614046394} H10 16 1
8 {} {0.366327976765 0.587127873755 0.543844190349} O 17 1
1 {} {0.319265639142 0.818109911652 0.486615226415} 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