./iterations/neb0_image07_iter165.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.470527543134 0.241345191993 0.49209022229} O1 1 1
14 {} {0.332677854315 0.222833335879 0.578122436928} Si1 2 1
14 {} {0.616625803925 0.304872802148 0.451534522796} Si2 3 1
8 {} {0.598703904835 0.466489912946 0.418412561863} O2 4 1
8 {} {0.305587230791 0.34843691449 0.682019949791} O3 5 1
14 {} {0.290527542159 0.51042744006 0.656804659271} Si3 6 1
14 {} {0.495550829494 0.593284395948 0.438574212636} Si4 7 1
1 {} {0.342934590021 0.100412661916 0.661717029045} H1 8 1
1 {} {0.221800310336 0.214227948367 0.478696394473} H2 9 1
1 {} {0.664595546757 0.235823764176 0.329038535726} H3 10 1
1 {} {0.713120650634 0.282052743377 0.563948738211} H4 11 1
1 {} {0.147169139572 0.548080362912 0.658643678366} H5 12 1
1 {} {0.369328681585 0.585578599018 0.758063812966} H6 13 1
1 {} {0.348129728831 0.894294889166 0.492300212235} H7 14 1
1 {} {0.45571660001 0.652941580375 0.30855550396} H8 15 1
1 {} {0.564589027074 0.691139696809 0.527126623964} H10 16 1
8 {} {0.353774678049 0.544779463289 0.507598156381} O 17 1
1 {} {0.318726324574 0.835496116133 0.52781058625} 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