./iterations/neb0_image07_iter191.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.472398381807 0.236048635423 0.495469973201} O1 1 1
14 {} {0.333042968089 0.220045885199 0.57972806911} Si1 2 1
14 {} {0.61545893263 0.302584400038 0.450889251415} Si2 3 1
8 {} {0.597985457576 0.463008969758 0.420785168723} O2 4 1
8 {} {0.30538035228 0.34807504978 0.679793759003} O3 5 1
14 {} {0.290973665741 0.510466824555 0.653868062609} Si3 6 1
14 {} {0.495934868317 0.590384474343 0.436074117826} Si4 7 1
1 {} {0.345551094505 0.0995069422077 0.665047583196} H1 8 1
1 {} {0.221767478853 0.21105262342 0.481237517071} H2 9 1
1 {} {0.663255315755 0.23600986175 0.326991958758} H3 10 1
1 {} {0.712331534276 0.286910768158 0.562402867708} H4 11 1
1 {} {0.147574315384 0.549484604065 0.654236044548} H5 12 1
1 {} {0.36821419425 0.581918225356 0.759570848222} H6 13 1
1 {} {0.345249897899 0.908953600786 0.499201135264} H7 14 1
1 {} {0.467495719836 0.641096973973 0.299810138009} H8 15 1
1 {} {0.558087840866 0.691846544934 0.525114240202} H10 16 1
8 {} {0.353066360758 0.544583435211 0.504823322848} O 17 1
1 {} {0.316317575622 0.850539997353 0.536013757346} 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