./iterations/neb0_image03_iter6.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.468737065237 0.236109510026 0.478552879982} O1 1 1
14 {} {0.32984495849 0.239803930988 0.564259745849} Si1 2 1
14 {} {0.602815347917 0.318199110644 0.436387033365} Si2 3 1
8 {} {0.561401679997 0.46810693435 0.37453227268} O2 4 1
8 {} {0.332359844832 0.369453442919 0.661542717964} O3 5 1
14 {} {0.271920666974 0.517940678171 0.716934619877} Si3 6 1
14 {} {0.514067908836 0.630996451916 0.390241350632} Si4 7 1
1 {} {0.324234790844 0.120765303649 0.65178460188} H1 8 1
1 {} {0.214861465822 0.248035949638 0.471565746336} H2 9 1
1 {} {0.670715258879 0.242181546668 0.328583352094} H3 10 1
1 {} {0.690513445975 0.337695906771 0.554939563821} H4 11 1
1 {} {0.125076747149 0.499023762028 0.724697196798} H5 12 1
1 {} {0.343272680637 0.542333715088 0.841846609925} H6 13 1
1 {} {0.373282319367 0.738966247914 0.356455347645} H7 14 1
1 {} {0.584275214528 0.698583857939 0.278544206912} H8 15 1
1 {} {0.57392570951 0.682878777581 0.517179747034} H10 16 1
8 {} {0.305381356137 0.649333001814 0.598558966154} O 17 1
1 {} {0.323399677065 0.732109838352 0.584452037857} 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