./iterations/neb0_image01_iter193.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 {} {0.464381773388 0.255038815351 0.477237544632} O1 1 1
14 {} {0.327361142285 0.251240923467 0.567134594875} Si1 2 1
14 {} {0.597672727706 0.336388271989 0.426851353396} Si2 3 1
8 {} {0.556572285245 0.476816937557 0.352320134179} O2 4 1
8 {} {0.324590345193 0.375770094863 0.673706188904} O3 5 1
14 {} {0.255861752856 0.513204646124 0.732954862242} Si3 6 1
14 {} {0.538004805373 0.639991298604 0.362030464506} Si4 7 1
1 {} {0.327322727087 0.12416318232 0.644018577938} H1 8 1
1 {} {0.210570278664 0.259434433588 0.475214488091} H2 9 1
1 {} {0.666442216392 0.250251270682 0.327699192484} H3 10 1
1 {} {0.68404262103 0.367201163449 0.544280244719} H4 11 1
1 {} {0.109732775226 0.494197999175 0.750861962916} H5 12 1
1 {} {0.325765081106 0.541033218812 0.861382948294} H6 13 1
1 {} {0.401214861281 0.677981156327 0.317251237577} H7 14 1
1 {} {0.639712596765 0.707284930321 0.276463988173} H8 15 1
1 {} {0.556303480223 0.685111141962 0.504127365441} H10 16 1
8 {} {0.268420182357 0.639787345381 0.627641270708} O 17 1
1 {} {0.35611427356 0.677621010908 0.60988147591} 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