./iterations/neb0_image01_iter203.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.464165367934 0.255722964112 0.477512821561} O1 1 1
14 {} {0.327349356725 0.251044504562 0.567817425391} Si1 2 1
14 {} {0.597147324924 0.336591798418 0.426741932152} Si2 3 1
8 {} {0.556304766716 0.47689889335 0.351822259902} O2 4 1
8 {} {0.32398269764 0.375152952346 0.675017264037} O3 5 1
14 {} {0.255416031047 0.512932435049 0.732963963935} Si3 6 1
14 {} {0.538619454689 0.640138111213 0.361545883247} Si4 7 1
1 {} {0.327989330416 0.123699502777 0.644089208497} H1 8 1
1 {} {0.21050060237 0.259401107196 0.476070200297} H2 9 1
1 {} {0.666053020494 0.250511597039 0.327745853983} H3 10 1
1 {} {0.683833938219 0.367772386629 0.543752652471} H4 11 1
1 {} {0.109285945239 0.494064059906 0.750704229487} H5 12 1
1 {} {0.325017942326 0.541777511554 0.861226027547} H6 13 1
1 {} {0.402150178047 0.678164302958 0.315788522787} H7 14 1
1 {} {0.641055508185 0.707259548837 0.276854606419} H8 15 1
1 {} {0.555664062812 0.685198199494 0.503797497737} H10 16 1
8 {} {0.268853340558 0.639143483867 0.62704272975} O 17 1
1 {} {0.356697051372 0.677044466083 0.610564811282} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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