./iterations/neb0_image01_iter229.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 {} {0.463241826493 0.257737716756 0.478416271544} O1 1 1
14 {} {0.327082842482 0.250429660607 0.569660939832} Si1 2 1
14 {} {0.596597127934 0.337534702349 0.426227154802} Si2 3 1
8 {} {0.555951484364 0.477295017042 0.350026531549} O2 4 1
8 {} {0.322748891839 0.372913038672 0.67869991166} O3 5 1
14 {} {0.254265421178 0.512572373987 0.733477705733} Si3 6 1
14 {} {0.539589365163 0.640786095946 0.359861275253} Si4 7 1
1 {} {0.329898317067 0.121845290179 0.644404659983} H1 8 1
1 {} {0.209649418395 0.259461090308 0.478330284218} H2 9 1
1 {} {0.665014563675 0.250403896117 0.327494391217} H3 10 1
1 {} {0.683606382177 0.369663161133 0.542991451886} H4 11 1
1 {} {0.107669420767 0.494037802349 0.749963904649} H5 12 1
1 {} {0.323082270596 0.543249698224 0.861884558723} H6 13 1
1 {} {0.404712730601 0.679288720112 0.310885830935} H7 14 1
1 {} {0.645282659017 0.707202233601 0.278029557394} H8 15 1
1 {} {0.553825622442 0.685439657232 0.502716736515} H10 16 1
8 {} {0.269834923413 0.636912279117 0.625855721884} O 17 1
1 {} {0.358032637533 0.675745347872 0.612130988356} 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