./iterations/neb0_image01_iter219.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 {} {0.463295352735 0.257474442016 0.478312607115} O1 1 1
14 {} {0.327146618424 0.250537228641 0.569355827353} Si1 2 1
14 {} {0.596755867171 0.337389081813 0.426290911898} Si2 3 1
8 {} {0.556145898703 0.477201952323 0.35017970517} O2 4 1
8 {} {0.322857945549 0.373270141871 0.678139032047} O3 5 1
14 {} {0.2543921702 0.512728558631 0.733467035082} Si3 6 1
14 {} {0.539287489624 0.640673274057 0.360014690062} Si4 7 1
1 {} {0.32961338043 0.122151984176 0.644384794534} H1 8 1
1 {} {0.209763589697 0.259506390859 0.477987911108} H2 9 1
1 {} {0.665170805529 0.250406884855 0.327519214703} H3 10 1
1 {} {0.683663547051 0.369473999674 0.543084155568} H4 11 1
1 {} {0.107856987617 0.494010105821 0.750145300629} H5 12 1
1 {} {0.323317291198 0.542944761828 0.861896277209} H6 13 1
1 {} {0.404444257341 0.679107902562 0.311525653502} H7 14 1
1 {} {0.644756903446 0.707256080414 0.277871927543} H8 15 1
1 {} {0.554122323348 0.685406838807 0.502837445248} H10 16 1
8 {} {0.269606014441 0.637221415338 0.626257997491} O 17 1
1 {} {0.357889464498 0.675756743801 0.611787391019} 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