./iterations/neb0_image01_iter222.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 {} {0.463124128035 0.257969470159 0.478497270417} O1 1 1
14 {} {0.327111632951 0.250424301154 0.569782631631} Si1 2 1
14 {} {0.596526739174 0.33758419876 0.426187223191} Si2 3 1
8 {} {0.556024509434 0.477294882154 0.349795618365} O2 4 1
8 {} {0.322532456582 0.372834179849 0.679090685011} O3 5 1
14 {} {0.254139046018 0.512508681917 0.733566342597} Si3 6 1
14 {} {0.5396417212 0.640789298272 0.359646749423} Si4 7 1
1 {} {0.330075137153 0.121815821418 0.644395889983} H1 8 1
1 {} {0.209649924146 0.259471892519 0.478566233833} H2 9 1
1 {} {0.664905139586 0.250410798835 0.327577118888} H3 10 1
1 {} {0.683567367693 0.369839755355 0.542808382778} H4 11 1
1 {} {0.107527783458 0.494036269506 0.750023431089} H5 12 1
1 {} {0.322795394111 0.543303724997 0.861976181795} H6 13 1
1 {} {0.405064453121 0.679430044838 0.310346920063} H7 14 1
1 {} {0.645665493719 0.707237142159 0.278123169604} H8 15 1
1 {} {0.553621063511 0.68539159834 0.502600745252} H10 16 1
8 {} {0.269897246608 0.636679159139 0.625881707299} O 17 1
1 {} {0.358216664532 0.67549655856 0.612191572197} 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