./iterations/neb0_image09_iter134.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472067746421 0.214734966967 0.494215010075} O1 1 1
14 {} {0.334809845927 0.216194349566 0.584817070739} Si1 2 1
14 {} {0.603794335923 0.299201246693 0.444498589097} Si2 3 1
8 {} {0.563050098977 0.452434270804 0.400335117251} O2 4 1
8 {} {0.326604029752 0.352184725885 0.677085551249} O3 5 1
14 {} {0.297610529423 0.514331753774 0.671058200033} Si3 6 1
14 {} {0.508456868075 0.598612806186 0.451481111223} Si4 7 1
1 {} {0.338350523368 0.0999128029984 0.676785825722} H1 8 1
1 {} {0.217770507935 0.210928901309 0.492773468823} H2 9 1
1 {} {0.659004737108 0.230572170121 0.325111046473} H3 10 1
1 {} {0.7025986708 0.306679737779 0.556008867231} H4 11 1
1 {} {0.151704802739 0.539236056951 0.656786405135} H5 12 1
1 {} {0.352418576716 0.573443037744 0.796055303474} H6 13 1
1 {} {0.322190037957 0.886871857974 0.416790746734} H7 14 1
1 {} {0.475028560476 0.677568145704 0.330669072663} H8 15 1
1 {} {0.612524312594 0.664755104538 0.535589928748} H10 16 1
8 {} {0.370847917233 0.58189258363 0.540626021814} O 17 1
1 {} {0.301254042781 0.852963447411 0.480370597276} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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