./iterations/neb0_image04_iter287.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.469006611058 0.259959268301 0.491217365151} O1 1 1
14 {} {0.326030829934 0.231752711991 0.566683575632} Si1 2 1
14 {} {0.601926071124 0.346304018255 0.450295552144} Si2 3 1
8 {} {0.564598456716 0.504875206642 0.437783917964} O2 4 1
8 {} {0.280240583802 0.353423796018 0.666001982128} O3 5 1
14 {} {0.231942114434 0.50697680618 0.697621200968} Si3 6 1
14 {} {0.589789509378 0.664887289395 0.404988323875} Si4 7 1
1 {} {0.344232139382 0.111075604277 0.652306132691} H1 8 1
1 {} {0.22503245485 0.210974369894 0.458769450727} H2 9 1
1 {} {0.651588009989 0.297382877095 0.31780281198} H3 10 1
1 {} {0.704833541691 0.327675611806 0.557950414988} H4 11 1
1 {} {0.108751814002 0.500002161368 0.781137313661} H5 12 1
1 {} {0.341957659339 0.5766169591 0.76964220887} H6 13 1
1 {} {0.471859570307 0.743279193679 0.453212147808} H7 14 1
1 {} {0.605350451258 0.682926098687 0.257529564262} H8 15 1
1 {} {0.713282285195 0.711208632503 0.476228730207} H10 16 1
8 {} {0.204833036027 0.575950965564 0.549875664466} O 17 1
1 {} {0.174830788171 0.667246164494 0.542011993351} 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