./iterations/neb0_image05_iter112.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.471026897264 0.227361523643 0.490028648435} O1 1 1
14 {} {0.330782423529 0.223777495784 0.573364970675} Si1 2 1
14 {} {0.592110339915 0.332543868461 0.448706356581} Si2 3 1
8 {} {0.53223509282 0.482325441808 0.425860986428} O2 4 1
8 {} {0.324168862024 0.357051010054 0.671994421431} O3 5 1
14 {} {0.286558356849 0.514908213527 0.678224510898} Si3 6 1
14 {} {0.506871300106 0.650519785402 0.428308226024} Si4 7 1
1 {} {0.328347029751 0.102841105927 0.659422028392} H1 8 1
1 {} {0.213463132263 0.227239799619 0.481574414537} H2 9 1
1 {} {0.649004277386 0.278495231537 0.322457541671} H3 10 1
1 {} {0.694062024365 0.328765206053 0.558964567144} H4 11 1
1 {} {0.139728450953 0.536527654356 0.681793892576} H5 12 1
1 {} {0.359260572865 0.576418855483 0.791858989691} H6 13 1
1 {} {0.411254988054 0.77612815221 0.439719136837} H7 14 1
1 {} {0.524815300704 0.675255791122 0.281758043287} H8 15 1
1 {} {0.607262389765 0.698152003378 0.528980898887} H10 16 1
8 {} {0.33456373899 0.59495320161 0.536952326062} O 17 1
1 {} {0.304570900138 0.689253580181 0.531088042564} 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
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
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 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 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