./iterations/neb0_image07_iter107.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 {} {0.469776693524 0.223939572767 0.491888024921} O1 1 1
14 {} {0.330803274125 0.221978175838 0.578434572049} Si1 2 1
14 {} {0.600954389878 0.311906114586 0.446511065413} Si2 3 1
8 {} {0.562927051873 0.465688589803 0.405802466656} O2 4 1
8 {} {0.32430584375 0.352297362798 0.678070385909} O3 5 1
14 {} {0.297940602046 0.51457219415 0.675185737783} Si3 6 1
14 {} {0.503763856138 0.610342573115 0.451150810871} Si4 7 1
1 {} {0.327621893426 0.10010333448 0.662512233026} H1 8 1
1 {} {0.215743827222 0.228340985435 0.485297630292} H2 9 1
1 {} {0.65774703931 0.250835808305 0.324193679509} H3 10 1
1 {} {0.697296396071 0.318091391306 0.559649611772} H4 11 1
1 {} {0.152009994527 0.541959060939 0.665611291321} H5 12 1
1 {} {0.355990905453 0.571435911569 0.799570331388} H6 13 1
1 {} {0.349730262802 0.828016508458 0.431280583222} H7 14 1
1 {} {0.482647630013 0.680148332718 0.322281629013} H8 15 1
1 {} {0.601084192981 0.686925730726 0.532753412623} H10 16 1
8 {} {0.370487219882 0.581065374623 0.542810321321} O 17 1
1 {} {0.309255057221 0.784870914362 0.478054155391} 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