./iterations/neb0_image02_iter173.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.464031451297 0.252927106561 0.490229303129} O1 1 1
14 {} {0.328449385038 0.239601479361 0.581746767172} Si1 2 1
14 {} {0.586467036841 0.343626801632 0.430059769773} Si2 3 1
8 {} {0.52909652819 0.485501179233 0.370077938785} O2 4 1
8 {} {0.319070437089 0.361819181673 0.690959879007} O3 5 1
14 {} {0.251498315509 0.508000999217 0.725856489072} Si3 6 1
14 {} {0.550132878653 0.648666991467 0.362406379004} Si4 7 1
1 {} {0.337276371238 0.110982734469 0.656410349794} H1 8 1
1 {} {0.209802197667 0.241852221391 0.491159355585} H2 9 1
1 {} {0.647547821323 0.266322546629 0.318883126929} H3 10 1
1 {} {0.68453516076 0.372509302077 0.538775768588} H4 11 1
1 {} {0.105048297978 0.491374041916 0.741491289225} H5 12 1
1 {} {0.318485740378 0.557322629704 0.849291552179} H6 13 1
1 {} {0.42271561974 0.713631400177 0.320172251931} H7 14 1
1 {} {0.6582388999 0.681520766763 0.265088552908} H8 15 1
1 {} {0.589708863381 0.701536688792 0.496924035591} H10 16 1
8 {} {0.267559341362 0.616049293391 0.601713392465} O 17 1
1 {} {0.340421744515 0.679272563113 0.599811951869} 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