./iterations/neb0_image09_iter293.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472319054251 0.210534929062 0.495443105169} O1 1 1
14 {} {0.333490491423 0.214226251894 0.582450859263} Si1 2 1
14 {} {0.606930135737 0.292565096997 0.44776860894} Si2 3 1
8 {} {0.571295071036 0.448794002803 0.413506011831} O2 4 1
8 {} {0.322876080152 0.353087076221 0.670170749382} O3 5 1
14 {} {0.300432406543 0.515406712817 0.669360471882} Si3 6 1
14 {} {0.512533366329 0.596982663845 0.452182147185} Si4 7 1
1 {} {0.334000869284 0.100762255253 0.67808318452} H1 8 1
1 {} {0.219304428882 0.206969773635 0.487492310528} H2 9 1
1 {} {0.657813130612 0.229083205708 0.323655984067} H3 10 1
1 {} {0.707502058965 0.288589283502 0.557724987605} H4 11 1
1 {} {0.15521234087 0.546306239049 0.66037676685} H5 12 1
1 {} {0.36137556427 0.569440975436 0.793895111198} H6 13 1
1 {} {0.312758997215 0.919483208964 0.438832196204} H7 14 1
1 {} {0.480257944536 0.668170834409 0.325973997969} H8 15 1
1 {} {0.6139887449 0.669816552402 0.533602942777} H10 16 1
8 {} {0.373014322317 0.583732883344 0.538545744117} O 17 1
1 {} {0.27498122917 0.858565925861 0.461992470426} 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
14 6 0 0
16 5 0 0
15 6 0 0
16 6 0 0
4 1 0 0
3 2 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 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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