./iterations/neb0_image04_iter1.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 {} {0.469017833136 0.233946666314 0.480887128121} O1 1 1
14 {} {0.330471122667 0.239067122023 0.568628647411} Si1 2 1
14 {} {0.603542473824 0.316843614959 0.436660740904} Si2 3 1
8 {} {0.565545914406 0.464421320021 0.377384994518} O2 4 1
8 {} {0.328672447548 0.371815513579 0.664121587748} O3 5 1
14 {} {0.275231052503 0.511399192166 0.708603861116} Si3 6 1
14 {} {0.523922380895 0.620074666099 0.396839866421} Si4 7 1
1 {} {0.326470116298 0.119846107098 0.655583303579} H1 8 1
1 {} {0.215757995054 0.24316144331 0.475208330345} H2 9 1
1 {} {0.668972310808 0.240355947492 0.328851462886} H3 10 1
1 {} {0.691688314388 0.333569804482 0.55454521379} H4 11 1
1 {} {0.130560739275 0.50335238616 0.716175348079} H5 12 1
1 {} {0.342980377145 0.545725149965 0.833814141866} H6 13 1
1 {} {0.360729246925 0.76726656972 0.358160270056} H7 14 1
1 {} {0.567872905633 0.692716524245 0.291655628727} H8 15 1
1 {} {0.576557638014 0.680258550288 0.513414437051} H10 16 1
8 {} {0.305726540014 0.621308162012 0.603580746357} O 17 1
1 {} {0.326366731465 0.767389220069 0.566942291025} 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