./iterations/neb0_image01_iter281.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 {} {0.461235338931 0.260351800841 0.480591957664} O1 1 1
14 {} {0.326993318085 0.247662925062 0.574142938815} Si1 2 1
14 {} {0.593889128892 0.339900039117 0.42677417212} Si2 3 1
8 {} {0.55189426952 0.479212227897 0.350706948662} O2 4 1
8 {} {0.32271715619 0.367049125036 0.687256922171} O3 5 1
14 {} {0.25385376925 0.510392978922 0.731302987003} Si3 6 1
14 {} {0.541098809694 0.64332636016 0.35858899263} Si4 7 1
1 {} {0.334166861728 0.11671005137 0.644679770828} H1 8 1
1 {} {0.207108301042 0.256066582633 0.48553679642} H2 9 1
1 {} {0.660634738857 0.251969506609 0.327220667371} H3 10 1
1 {} {0.682729439809 0.372279588046 0.54238793354} H4 11 1
1 {} {0.106477579951 0.493259993399 0.743492165764} H5 12 1
1 {} {0.318996418799 0.550121129489 0.859259251367} H6 13 1
1 {} {0.410022988243 0.685116496903 0.302001927602} H7 14 1
1 {} {0.653055446309 0.704862012845 0.28131699048} H8 15 1
1 {} {0.55057531881 0.68924063343 0.501438344276} H10 16 1
8 {} {0.275299809347 0.627950277889 0.616686418183} O 17 1
1 {} {0.359337220902 0.677045886709 0.617672702826} 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