./iterations/neb0_image06_iter14.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 {} {0.469326929067 0.22682564932 0.484059329233} O1 1 1
14 {} {0.331701043701 0.229335877875 0.573856341075} Si1 2 1
14 {} {0.60349251764 0.30974429375 0.439716713194} Si2 3 1
8 {} {0.558320878894 0.461953142578 0.385158186462} O2 4 1
8 {} {0.331600326141 0.36211514447 0.670604233605} O3 5 1
14 {} {0.283785910975 0.520458779957 0.690690911758} Si3 6 1
14 {} {0.50599313021 0.615805002031 0.426512050246} Si4 7 1
1 {} {0.331759429789 0.112178836974 0.66484140611} H1 8 1
1 {} {0.215214526011 0.231531504428 0.480275355756} H2 9 1
1 {} {0.666469725358 0.23637013909 0.326717609088} H3 10 1
1 {} {0.696184767998 0.326074727328 0.555495491401} H4 11 1
1 {} {0.129229548125 0.512760730234 0.703159376803} H5 12 1
1 {} {0.343466091164 0.55447902775 0.829146849958} H6 13 1
1 {} {0.344696569987 0.801193008873 0.410661789294} H7 14 1
1 {} {0.539671894723 0.68925069753 0.291419114138} H8 15 1
1 {} {0.591591420015 0.678728438986 0.530289171887} H10 16 1
8 {} {0.339838651818 0.620255114864 0.564630914347} O 17 1
1 {} {0.327742786868 0.783457843164 0.503823155033} 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