./iterations/neb0_image07_iter285.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 {} {0.481250797686 0.203015369368 0.502754384948} O1 1 1
14 {} {0.340127404278 0.21017246123 0.586406135259} Si1 2 1
14 {} {0.610674692778 0.292646338154 0.455347532663} Si2 3 1
8 {} {0.569286368859 0.449589209733 0.433972409956} O2 4 1
8 {} {0.317985373105 0.357919980809 0.653749839445} O3 5 1
14 {} {0.28891098085 0.519472373755 0.647916208746} Si3 6 1
14 {} {0.496185333329 0.595998706947 0.432960366804} Si4 7 1
1 {} {0.34087960187 0.112392088289 0.697664838268} H1 8 1
1 {} {0.232344073658 0.182940404785 0.488210211608} H2 9 1
1 {} {0.661575002912 0.24340675662 0.325115223172} H3 10 1
1 {} {0.71312278716 0.283702792209 0.562275041059} H4 11 1
1 {} {0.142231632612 0.540978318155 0.652393180538} H5 12 1
1 {} {0.356256384062 0.584031645418 0.762933039419} H6 13 1
1 {} {0.340207263004 0.910163031935 0.48479572455} H7 14 1
1 {} {0.470705994881 0.637145626076 0.292519449103} H8 15 1
1 {} {0.588927945789 0.691259503339 0.500033803834} H10 16 1
8 {} {0.351264983413 0.585970542019 0.511222129547} O 17 1
1 {} {0.308149135663 0.871712758738 0.540788188885} 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