./iterations/neb0_image04_iter136.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 {} {0.466034310671 0.241926250463 0.487362483407} O1 1 1
14 {} {0.326697128935 0.228338746432 0.574850117305} Si1 2 1
14 {} {0.586601147051 0.343843335121 0.440673504665} Si2 3 1
8 {} {0.527454750736 0.492769841155 0.40968253358} O2 4 1
8 {} {0.312447994087 0.352159884554 0.680742911528} O3 5 1
14 {} {0.272479493291 0.510724706151 0.701808755337} Si3 6 1
14 {} {0.538618851462 0.656397554239 0.402316732184} Si4 7 1
1 {} {0.331913602495 0.102593653199 0.655258503643} H1 8 1
1 {} {0.210686692563 0.227868756618 0.481424229828} H2 9 1
1 {} {0.645472034582 0.280905114662 0.318705071914} H3 10 1
1 {} {0.687146912071 0.353695865098 0.550172815436} H4 11 1
1 {} {0.124715953462 0.526321999912 0.70842069579} H5 12 1
1 {} {0.340658388909 0.556548678734 0.82543214256} H6 13 1
1 {} {0.411044017102 0.734870123899 0.399789727821} H7 14 1
1 {} {0.597047529991 0.686507467012 0.270338588994} H8 15 1
1 {} {0.625765255565 0.704915127616 0.511501231847} H10 16 1
8 {} {0.328647003761 0.59934712261 0.57475668192} O 17 1
1 {} {0.276654995569 0.67278367989 0.537821282171} 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