./iterations/neb0_image07_iter88.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 {} {0.470578041846 0.22099708263 0.489304551461} O1 1 1
14 {} {0.331397114795 0.223608356269 0.577320194386} Si1 2 1
14 {} {0.599809143735 0.312755794917 0.444750583488} Si2 3 1
8 {} {0.554925041814 0.464006553762 0.402898099336} O2 4 1
8 {} {0.327413594947 0.353465437717 0.679616200621} O3 5 1
14 {} {0.29871177229 0.515803111263 0.678015863739} Si3 6 1
14 {} {0.50394676123 0.611151008862 0.453421904772} Si4 7 1
1 {} {0.326698077631 0.100677437207 0.661177964661} H1 8 1
1 {} {0.216219862494 0.23140976271 0.482175514036} H2 9 1
1 {} {0.660326269118 0.256289741505 0.321850609286} H3 10 1
1 {} {0.693375194113 0.321629647568 0.560416330463} H4 11 1
1 {} {0.15218201187 0.54078359857 0.668495936863} H5 12 1
1 {} {0.354974987856 0.569343261792 0.804840829701} H6 13 1
1 {} {0.351851357965 0.81989564562 0.42607140277} H7 14 1
1 {} {0.482647176733 0.68295019114 0.325465442724} H8 15 1
1 {} {0.605798730961 0.682574061171 0.536399261443} H10 16 1
8 {} {0.369459596138 0.586780685674 0.547482095949} O 17 1
1 {} {0.309771391219 0.778396589213 0.471355158483} 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