./iterations/neb0_image04_iter92.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.467154868337 0.232943560925 0.488210741115} O1 1 1
14 {} {0.329638564273 0.229134096745 0.577440325009} Si1 2 1
14 {} {0.583532629244 0.339166375885 0.439669292626} Si2 3 1
8 {} {0.516584130831 0.484565118031 0.403417722528} O2 4 1
8 {} {0.322974583563 0.357802789641 0.680260600402} O3 5 1
14 {} {0.279276705437 0.514504055715 0.700522670895} Si3 6 1
14 {} {0.527122727982 0.650258870653 0.401718730712} Si4 7 1
1 {} {0.329105641297 0.105301246889 0.659837166409} H1 8 1
1 {} {0.213397771648 0.233857065345 0.485195686226} H2 9 1
1 {} {0.647557666286 0.282953719716 0.317501346664} H3 10 1
1 {} {0.682301764424 0.350517413873 0.551291173342} H4 11 1
1 {} {0.131246015462 0.531554768866 0.694807751673} H5 12 1
1 {} {0.340338402137 0.560819014565 0.827573225237} H6 13 1
1 {} {0.401059098043 0.732532537133 0.392859342401} H7 14 1
1 {} {0.592487625951 0.681632059477 0.272343949526} H8 15 1
1 {} {0.604971310349 0.698545295212 0.518408288022} H10 16 1
8 {} {0.342979474603 0.604293351761 0.577869283028} O 17 1
1 {} {0.298357129835 0.682136608649 0.542130684159} 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