./iterations/neb0_image01_iter146.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.46574777234 0.249991282937 0.476358778983} O1 1 1
14 {} {0.327403474711 0.25089507359 0.564769293251} Si1 2 1
14 {} {0.597986763035 0.334587239799 0.427760403328} Si2 3 1
8 {} {0.555276498433 0.476106475435 0.356576406277} O2 4 1
8 {} {0.327128726004 0.378523238917 0.667809686169} O3 5 1
14 {} {0.25763566949 0.51406712835 0.730442731976} Si3 6 1
14 {} {0.536128957525 0.639519093304 0.36613524007} Si4 7 1
1 {} {0.324297238029 0.124454775708 0.643908124296} H1 8 1
1 {} {0.211096324362 0.260131868219 0.471261018479} H2 9 1
1 {} {0.668475982079 0.252585263142 0.326120053772} H3 10 1
1 {} {0.683539531038 0.364723101189 0.546084902071} H4 11 1
1 {} {0.111554215355 0.492349708988 0.75028876159} H5 12 1
1 {} {0.331367225191 0.539906040992 0.856787421911} H6 13 1
1 {} {0.396296834535 0.672615332023 0.327983279509} H7 14 1
1 {} {0.633569983699 0.706774471329 0.275121644871} H8 15 1
1 {} {0.560544510024 0.68781445925 0.50661573874} H10 16 1
8 {} {0.267503895568 0.643418740913 0.627872782805} O 17 1
1 {} {0.354532398329 0.684054616644 0.609161678763} 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
12 5 0 0
1 0 0 0
2 0 0 0
16 5 0 0
4 1 0 0
3 2 0 0
17 16 0 0
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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