./iterations/neb0_image06_iter7.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.470222053031 0.227439327949 0.48554990389} O1 1 1
14 {} {0.332028717232 0.227014088177 0.573865207915} Si1 2 1
14 {} {0.603535294318 0.306638387304 0.44083781204} Si2 3 1
8 {} {0.562249927189 0.459505084222 0.383817798672} O2 4 1
8 {} {0.331152542893 0.360449735333 0.670502278994} O3 5 1
14 {} {0.280838879121 0.517451005672 0.696277949823} Si3 6 1
14 {} {0.510580198898 0.610430270972 0.426375572137} Si4 7 1
1 {} {0.332744924972 0.113502459774 0.66656672238} H1 8 1
1 {} {0.216202317882 0.229607557738 0.482764977005} H2 9 1
1 {} {0.665489379772 0.235350890778 0.327045604221} H3 10 1
1 {} {0.696572748336 0.324081307424 0.555161252812} H4 11 1
1 {} {0.13033504093 0.513296500461 0.699107499065} H5 12 1
1 {} {0.344363312632 0.555363350461 0.826424995915} H6 13 1
1 {} {0.344559139576 0.81101003795 0.39441231035} H7 14 1
1 {} {0.539746564664 0.690797524188 0.29113952643} H8 15 1
1 {} {0.591092334847 0.676978004588 0.526730082588} H10 16 1
8 {} {0.33614483632 0.619141693042 0.566017687057} O 17 1
1 {} {0.322227930469 0.794460735894 0.518460821088} 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