./iterations/neb0_image04_iter59.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 {} {0.467807939917 0.22662752996 0.482171129166} O1 1 1
14 {} {0.330636884712 0.234087052815 0.572682827391} Si1 2 1
14 {} {0.587276759481 0.332504254741 0.438323130476} Si2 3 1
8 {} {0.521325821092 0.478466092856 0.400427720879} O2 4 1
8 {} {0.330228606341 0.368116189953 0.667770169596} O3 5 1
14 {} {0.277761896395 0.519916997727 0.700609343918} Si3 6 1
14 {} {0.522071098371 0.643527968976 0.40475608981} Si4 7 1
1 {} {0.331268057369 0.118252781586 0.665055137981} H1 8 1
1 {} {0.212779911056 0.233389021237 0.480785767176} H2 9 1
1 {} {0.653946430608 0.270846631147 0.319389014767} H3 10 1
1 {} {0.686466740151 0.347401495336 0.55093011693} H4 11 1
1 {} {0.128997738926 0.527261566212 0.702805067496} H5 12 1
1 {} {0.3387474372 0.563604398813 0.828647008145} H6 13 1
1 {} {0.395685716846 0.724757678969 0.39652508399} H7 14 1
1 {} {0.579053084252 0.684837969906 0.274980778432} H8 15 1
1 {} {0.600213820782 0.692262411968 0.522760850268} H10 16 1
8 {} {0.336984177298 0.609929858492 0.577998966667} O 17 1
1 {} {0.308834007474 0.696728066175 0.544439802424} 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