./iterations/neb0_image06_iter161.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished
#MD System 2.0

@Title neb0_image06

@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 {} {0.472239548289 0.229942649241 0.485123535052} O1 1 1
14 {} {0.331609906139 0.222465434094 0.568248385699} Si1 2 1
14 {} {0.609189021596 0.316290309749 0.451710977505} Si2 3 1
8 {} {0.568511337746 0.472561378216 0.443187877604} O2 4 1
8 {} {0.305159061359 0.354108555443 0.661739012171} O3 5 1
14 {} {0.283431995522 0.517344996018 0.658156492533} Si3 6 1
14 {} {0.486508751409 0.611912439575 0.445231864785} Si4 7 1
1 {} {0.336684712925 0.105986430959 0.660453100441} H1 8 1
1 {} {0.225291322028 0.208898519247 0.465939439922} H2 9 1
1 {} {0.662958035403 0.280929795023 0.316494281052} H3 10 1
1 {} {0.707729407885 0.298131145318 0.563689102434} H4 11 1
1 {} {0.141235143072 0.540292562941 0.698365283995} H5 12 1
1 {} {0.373512944084 0.584859319065 0.755663566462} H6 13 1
1 {} {0.394113738025 0.818412806615 0.51220806174} H7 14 1
1 {} {0.471272347283 0.6574044879 0.304451758891} H8 15 1
1 {} {0.57916404853 0.701535194507 0.520635959132} H10 16 1
8 {} {0.332266301053 0.573436174092 0.509021622502} O 17 1
1 {} {0.329208321173 0.778005634805 0.510737707875} 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