./iterations/neb0_image02_iter217.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished
#MD System 2.0

@Title neb0_image02

@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 {} {0.461196771012 0.258389103171 0.490892332169} O1 1 1
14 {} {0.327657706567 0.239563940783 0.583939911573} Si1 2 1
14 {} {0.584398152983 0.346620431253 0.429114110248} Si2 3 1
8 {} {0.529479831393 0.488807819135 0.36818653235} O2 4 1
8 {} {0.315725057843 0.358734143895 0.69607354491} O3 5 1
14 {} {0.247881982203 0.505330789667 0.728789233479} Si3 6 1
14 {} {0.556417562872 0.651048656273 0.359425123422} Si4 7 1
1 {} {0.340986102393 0.110123099033 0.655791550178} H1 8 1
1 {} {0.208287266936 0.241371422292 0.494819363535} H2 9 1
1 {} {0.644038490924 0.267719993402 0.318492528165} H3 10 1
1 {} {0.683463011077 0.376136514633 0.536534142698} H4 11 1
1 {} {0.101199618716 0.489557098323 0.744452347116} H5 12 1
1 {} {0.314631608584 0.554314199627 0.852480029115} H6 13 1
1 {} {0.430497156108 0.716565290632 0.314830652218} H7 14 1
1 {} {0.666094532097 0.681111722818 0.262833515889} H8 15 1
1 {} {0.593269843259 0.704707227284 0.494480322747} H10 16 1
8 {} {0.26469899479 0.611505531957 0.602961464188} O 17 1
1 {} {0.340162491107 0.670911021131 0.596961358568} 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
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 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 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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