./iterations/neb0_image07_iter36.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 {} {0.469851673111 0.223565137231 0.483118814153} O1 1 1
14 {} {0.332829549827 0.22869663539 0.573043184448} Si1 2 1
14 {} {0.598897029059 0.313826234139 0.441021376809} Si2 3 1
8 {} {0.546349121362 0.463609963859 0.399523057181} O2 4 1
8 {} {0.332910423139 0.35866586173 0.668564714366} O3 5 1
14 {} {0.295521031874 0.518294189606 0.678941513366} Si3 6 1
14 {} {0.50036948961 0.610577854374 0.452570572845} Si4 7 1
1 {} {0.330152116312 0.109960321642 0.661002475054} H1 8 1
1 {} {0.2163424597 0.232741827596 0.481031564634} H2 9 1
1 {} {0.664042415474 0.245284066924 0.328005162365} H3 10 1
1 {} {0.693637388786 0.328322710416 0.553407484691} H4 11 1
1 {} {0.14842410372 0.528231850544 0.688457311909} H5 12 1
1 {} {0.344635312345 0.564400270577 0.810168645576} H6 13 1
1 {} {0.341931172634 0.807110347201 0.417641752019} H7 14 1
1 {} {0.499633018021 0.681427528125 0.31917239765} H8 15 1
1 {} {0.598924971087 0.680672855479 0.539579243806} H10 16 1
8 {} {0.365255381636 0.590037987467 0.547796610529} O 17 1
1 {} {0.330379494962 0.787092326166 0.488012110856} 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