./iterations/neb0_image09_iter59.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 {} {0.472232328533 0.211913431799 0.494323636839} O1 1 1
14 {} {0.336241004887 0.216151059388 0.586368011221} Si1 2 1
14 {} {0.603095111915 0.298951453521 0.44498881809} Si2 3 1
8 {} {0.560151870119 0.451504203014 0.402183214352} O2 4 1
8 {} {0.329381663672 0.355387606326 0.674627835309} O3 5 1
14 {} {0.296360653915 0.516310775253 0.669438263364} Si3 6 1
14 {} {0.506386801781 0.599023478001 0.45125094968} Si4 7 1
1 {} {0.34056492234 0.102775672962 0.682266128451} H1 8 1
1 {} {0.217807064224 0.208852223214 0.496021982939} H2 9 1
1 {} {0.658558152586 0.231749571557 0.324947505955} H3 10 1
1 {} {0.70218464422 0.307431013308 0.55613762003} H4 11 1
1 {} {0.149895457534 0.538293280541 0.655742639506} H5 12 1
1 {} {0.350913306471 0.576853010681 0.793846290126} H6 13 1
1 {} {0.323470744833 0.877599550329 0.413649613884} H7 14 1
1 {} {0.477004506415 0.677495214068 0.328982400648} H8 15 1
1 {} {0.610301329984 0.663943335851 0.536202019127} H10 16 1
8 {} {0.368015659613 0.585758679544 0.538526714249} O 17 1
1 {} {0.307520942646 0.852524387973 0.481554345703} 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