./iterations/neb0_image02_iter208.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.461636799205 0.257914150802 0.491292368397} O1 1 1
14 {} {0.327863809329 0.239533081651 0.584119301063} Si1 2 1
14 {} {0.584313126956 0.346412081459 0.429389677671} Si2 3 1
8 {} {0.529001054295 0.488561213102 0.36832325069} O2 4 1
8 {} {0.315987747023 0.358972530614 0.696126953589} O3 5 1
14 {} {0.248006947536 0.505465818966 0.728589673551} Si3 6 1
14 {} {0.556082662152 0.650701956144 0.359427998895} Si4 7 1
1 {} {0.340791906293 0.11001354041 0.656006742931} H1 8 1
1 {} {0.208594263243 0.241182857164 0.495006319462} H2 9 1
1 {} {0.643702496826 0.268034686343 0.318606389614} H3 10 1
1 {} {0.683492996312 0.376209928265 0.53634293646} H4 11 1
1 {} {0.101272741592 0.489755771239 0.744013097975} H5 12 1
1 {} {0.314569179274 0.554781979211 0.852076359325} H6 13 1
1 {} {0.430422747496 0.716963449782 0.314483580297} H7 14 1
1 {} {0.666076034478 0.680674440678 0.262801528999} H8 15 1
1 {} {0.592828968981 0.704483764901 0.494689862082} H10 16 1
8 {} {0.265245647842 0.611360237846 0.602679708046} O 17 1
1 {} {0.340197034138 0.671496493559 0.597082338383} 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
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 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 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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